data_26054 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 26054 _Entry.PDB_ID 2NDB save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 26054 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LYS N N 2 123.044 123.044 118.553 4.491 26054 2 1 1 . 1 1 2 2 LYS HA H 2 3.971 3.971 3.754 0.217 26054 3 1 1 . 1 1 2 2 LYS H H 2 8.401 8.401 8.679 -0.278 26054 4 1 1 . 1 1 3 3 LYS N N 3 118.874 118.874 118.992 -0.118 26054 5 1 1 . 1 1 3 3 LYS HA H 3 4.332 4.332 4.135 0.197 26054 6 1 1 . 1 1 3 3 LYS H H 3 8.269 8.269 8.472 -0.203 26054 7 1 1 . 1 1 4 4 LYS N N 4 124.043 124.043 114.747 9.296 26054 8 1 1 . 1 1 4 4 LYS HA H 4 4.349 4.349 4.478 -0.129 26054 9 1 1 . 1 1 4 4 LYS H H 4 8.395 8.395 8.170 0.225 26054 10 1 1 . 1 1 5 5 CYS N N 5 115.251 115.251 117.129 -1.878 26054 11 1 1 . 1 1 5 5 CYS HA H 5 5.047 5.047 4.856 0.191 26054 12 1 1 . 1 1 5 5 CYS H H 5 7.921 7.921 7.632 0.289 26054 13 1 1 . 1 1 6 6 ILE N N 6 120.706 120.706 117.572 3.134 26054 14 1 1 . 1 1 6 6 ILE HA H 6 4.763 4.763 4.392 0.371 26054 15 1 1 . 1 1 6 6 ILE H H 6 9.211 9.211 7.799 1.412 26054 16 1 1 . 1 1 7 7 ALA N N 7 136.854 136.854 121.921 14.933 26054 17 1 1 . 1 1 7 7 ALA HA H 7 3.977 3.977 4.602 -0.625 26054 18 1 1 . 1 1 7 7 ALA H H 7 8.798 8.798 8.210 0.588 26054 19 1 1 . 1 1 8 8 LYS N N 8 118.663 118.663 119.114 -0.451 26054 20 1 1 . 1 1 8 8 LYS HA H 8 4.102 4.102 4.061 0.041 26054 21 1 1 . 1 1 8 8 LYS H H 8 7.300 7.300 8.271 -0.971 26054 22 1 1 . 1 1 9 9 ASP N N 9 133.072 133.072 112.965 20.107 26054 23 1 1 . 1 1 9 9 ASP HA H 9 3.974 3.974 4.256 -0.282 26054 24 1 1 . 1 1 9 9 ASP H H 9 9.197 9.197 8.458 0.739 26054 25 1 1 . 1 1 10 10 TYR N N 10 120.909 120.909 119.596 1.313 26054 26 1 1 . 1 1 10 10 TYR HA H 10 4.036 4.036 4.550 -0.513 26054 27 1 1 . 1 1 10 10 TYR H H 10 8.557 8.557 8.459 0.098 26054 28 1 1 . 1 1 11 11 GLY N N 11 104.832 104.832 107.807 -2.975 26054 29 1 1 . 1 1 11 11 GLY H H 11 7.958 7.958 8.116 -0.158 26054 30 1 1 . 1 1 12 12 ARG N N 12 122.926 122.926 124.489 -1.563 26054 31 1 1 . 1 1 12 12 ARG HA H 12 4.555 4.555 4.383 0.172 26054 32 1 1 . 1 1 12 12 ARG H H 12 8.266 8.266 8.473 -0.207 26054 33 1 1 . 1 1 13 13 CYS N N 13 119.507 119.507 119.091 0.416 26054 34 1 1 . 1 1 13 13 CYS HA H 13 5.019 5.019 5.216 -0.197 26054 35 1 1 . 1 1 13 13 CYS H H 13 7.692 7.692 8.136 -0.444 26054 36 1 1 . 1 1 14 14 LYS N N 14 119.666 119.666 122.276 -2.610 26054 37 1 1 . 1 1 14 14 LYS HA H 14 4.577 4.577 3.841 0.736 26054 38 1 1 . 1 1 14 14 LYS H H 14 9.093 9.093 8.643 0.450 26054 39 1 1 . 1 1 15 15 TRP N N 15 129.454 129.454 124.735 4.719 26054 40 1 1 . 1 1 15 15 TRP HA H 15 4.474 4.474 4.403 0.071 26054 41 1 1 . 1 1 15 15 TRP H H 15 9.088 9.088 7.568 1.520 26054 42 1 1 . 1 1 16 16 GLY N N 16 115.369 115.369 104.412 10.957 26054 43 1 1 . 1 1 16 16 GLY H H 16 8.745 8.745 8.161 0.584 26054 44 1 1 . 1 1 17 17 GLY N N 17 108.088 108.088 108.545 -0.457 26054 45 1 1 . 1 1 17 17 GLY H H 17 7.809 7.809 7.425 0.384 26054 46 1 1 . 1 1 18 18 THR N N 18 121.094 121.094 116.492 4.602 26054 47 1 1 . 1 1 18 18 THR HA H 18 4.330 4.330 4.166 0.164 26054 48 1 1 . 1 1 18 18 THR H H 18 8.187 8.187 8.074 0.113 26054 49 1 1 . 1 1 19 19 PRO HA H 19 4.512 4.512 4.214 0.298 26054 50 1 1 . 1 1 20 20 CYS N N 20 119.243 119.243 116.984 2.259 26054 51 1 1 . 1 1 20 20 CYS HA H 20 4.760 4.760 4.497 0.263 26054 52 1 1 . 1 1 20 20 CYS H H 20 8.910 8.910 8.089 0.821 26054 53 1 1 . 1 1 21 21 CYS N N 21 119.815 119.815 123.342 -3.527 26054 54 1 1 . 1 1 21 21 CYS HA H 21 4.649 4.649 4.184 0.465 26054 55 1 1 . 1 1 21 21 CYS H H 21 8.559 8.559 8.540 0.019 26054 56 1 1 . 1 1 22 22 ARG N N 22 117.375 117.375 120.356 -2.981 26054 57 1 1 . 1 1 22 22 ARG HA H 22 4.344 4.344 4.286 0.058 26054 58 1 1 . 1 1 22 22 ARG H H 22 7.922 7.922 8.039 -0.117 26054 59 1 1 . 1 1 23 23 GLY N N 23 107.052 107.052 111.983 -4.931 26054 60 1 1 . 1 1 23 23 GLY H H 23 8.566 8.566 8.479 0.087 26054 61 1 1 . 1 1 24 24 ARG N N 24 118.904 118.904 119.870 -0.966 26054 62 1 1 . 1 1 24 24 ARG HA H 24 3.917 3.917 4.200 -0.283 26054 63 1 1 . 1 1 24 24 ARG H H 24 7.386 7.386 8.129 -0.743 26054 64 1 1 . 1 1 25 25 GLY N N 25 110.468 110.468 109.572 0.896 26054 65 1 1 . 1 1 25 25 GLY H H 25 9.232 9.232 8.035 1.197 26054 66 1 1 . 1 1 26 26 CYS N N 26 122.353 122.353 125.786 -3.433 26054 67 1 1 . 1 1 26 26 CYS HA H 26 4.879 4.879 5.412 -0.533 26054 68 1 1 . 1 1 26 26 CYS H H 26 8.462 8.462 9.145 -0.683 26054 69 1 1 . 1 1 27 27 ILE N N 27 130.221 130.221 127.425 2.796 26054 70 1 1 . 1 1 27 27 ILE HA H 27 4.560 4.560 5.005 -0.445 26054 71 1 1 . 1 1 27 27 ILE H H 27 8.866 8.866 8.258 0.608 26054 72 1 1 . 1 1 28 28 CYS N N 28 127.575 127.575 125.771 1.804 26054 73 1 1 . 1 1 28 28 CYS HA H 28 4.990 4.990 5.189 -0.199 26054 74 1 1 . 1 1 28 28 CYS H H 28 8.991 8.991 8.646 0.345 26054 75 1 1 . 1 1 29 29 SER N N 29 116.957 116.957 115.622 1.335 26054 76 1 1 . 1 1 29 29 SER HA H 29 4.604 4.604 4.482 0.122 26054 77 1 1 . 1 1 29 29 SER H H 29 8.818 8.818 8.375 0.443 26054 78 1 1 . 1 1 30 30 ILE N N 30 120.076 120.076 121.233 -1.157 26054 79 1 1 . 1 1 30 30 ILE HA H 30 4.129 4.129 3.913 0.216 26054 80 1 1 . 1 1 30 30 ILE H H 30 8.649 8.649 8.389 0.260 26054 81 1 1 . 1 1 31 31 MET N N 31 121.623 121.623 118.540 3.083 26054 82 1 1 . 1 1 31 31 MET HA H 31 4.488 4.488 4.608 -0.120 26054 83 1 1 . 1 1 31 31 MET H H 31 8.074 8.074 8.211 -0.137 26054 84 1 1 . 1 1 32 32 GLY N N 32 107.202 107.202 108.750 -1.548 26054 85 1 1 . 1 1 32 32 GLY H H 32 8.233 8.233 7.922 0.311 26054 86 1 1 . 1 1 33 33 THR N N 33 109.666 109.666 112.001 -2.335 26054 87 1 1 . 1 1 33 33 THR HA H 33 4.618 4.618 4.374 0.244 26054 88 1 1 . 1 1 33 33 THR H H 33 7.514 7.514 7.867 -0.353 26054 89 1 1 . 1 1 34 34 ASN N N 34 118.499 118.499 122.795 -4.296 26054 90 1 1 . 1 1 34 34 ASN HA H 34 4.471 4.471 4.814 -0.343 26054 91 1 1 . 1 1 34 34 ASN H H 34 8.750 8.750 8.483 0.267 26054 92 1 1 . 1 1 35 35 CYS N N 35 119.713 119.713 120.426 -0.713 26054 93 1 1 . 1 1 35 35 CYS HA H 35 5.085 5.085 4.673 0.412 26054 94 1 1 . 1 1 35 35 CYS H H 35 8.374 8.374 7.822 0.552 26054 95 1 1 . 1 1 36 36 GLU N N 36 122.063 122.063 124.809 -2.746 26054 96 1 1 . 1 1 36 36 GLU HA H 36 5.088 5.088 4.656 0.432 26054 97 1 1 . 1 1 36 36 GLU H H 36 8.712 8.712 8.674 0.038 26054 98 1 1 . 1 1 37 37 CYS N N 37 120.788 120.788 122.888 -2.100 26054 99 1 1 . 1 1 37 37 CYS HA H 37 5.218 5.218 4.757 0.461 26054 100 1 1 . 1 1 37 37 CYS H H 37 8.939 8.939 8.921 0.018 26054 101 1 1 . 1 1 38 38 LYS N N 38 127.824 127.824 127.751 0.073 26054 102 1 1 . 1 1 38 38 LYS HA H 38 5.217 5.217 4.994 0.223 26054 103 1 1 . 1 1 38 38 LYS H H 38 8.089 8.089 8.899 -0.810 26054 104 1 1 . 1 1 39 39 PRO HA H 39 4.586 4.586 4.481 0.104 26054 105 1 1 . 1 1 40 40 ARG N N 40 124.448 124.448 119.069 5.379 26054 106 1 1 . 1 1 40 40 ARG HA H 40 3.902 3.902 4.312 -0.410 26054 107 1 1 . 1 1 40 40 ARG H H 40 8.052 8.052 8.128 -0.076 26054 108 1 1 . 1 1 41 41 LEU N N 41 118.966 118.966 123.211 -4.245 26054 109 1 1 . 1 1 41 41 LEU HA H 41 3.826 3.826 4.327 -0.501 26054 110 1 1 . 1 1 41 41 LEU H H 41 8.705 8.705 8.473 0.232 26054 111 1 1 . 1 1 42 42 ILE N N 42 133.826 133.826 114.869 18.957 26054 112 1 1 . 1 1 42 42 ILE HA H 42 4.338 4.338 3.908 0.430 26054 113 1 1 . 1 1 42 42 ILE H H 42 8.224 8.224 7.941 0.283 26054 114 1 1 . 1 1 43 43 MET N N 43 117.955 117.955 120.124 -2.169 26054 115 1 1 . 1 1 43 43 MET HA H 43 4.055 4.055 4.313 -0.258 26054 116 1 1 . 1 1 43 43 MET H H 43 8.223 8.223 7.628 0.595 26054 117 1 1 . 1 1 44 44 GLU N N 44 116.395 116.395 121.708 -5.313 26054 118 1 1 . 1 1 44 44 GLU HA H 44 4.323 4.323 4.295 0.028 26054 119 1 1 . 1 1 44 44 GLU H H 44 8.601 8.601 8.764 -0.163 26054 120 1 1 . 1 1 45 45 GLY N N 45 110.336 110.336 107.648 2.688 26054 121 1 1 . 1 1 45 45 GLY H H 45 8.189 8.189 8.014 0.175 26054 122 1 1 . 1 1 46 46 LEU N N 46 116.745 116.745 120.148 -3.403 26054 123 1 1 . 1 1 46 46 LEU HA H 46 4.362 4.362 4.631 -0.269 26054 124 1 1 . 1 1 46 46 LEU H H 46 7.731 7.731 7.885 -0.154 26054 125 1 1 . 1 1 47 47 GLY N N 47 104.013 104.013 107.229 -3.216 26054 126 1 1 . 1 1 47 47 GLY H H 47 7.696 7.696 7.771 -0.075 26054 127 1 1 . 1 1 48 48 LEU N N 48 118.143 118.143 120.938 -2.795 26054 128 1 1 . 1 1 48 48 LEU HA H 48 4.248 4.248 4.853 -0.605 26054 129 1 1 . 1 1 48 48 LEU H H 48 8.123 8.123 8.253 -0.130 26054 130 1 2 . 1 1 2 2 LYS N N 2 123.044 123.044 119.966 3.078 26054 131 1 2 . 1 1 2 2 LYS HA H 2 3.971 3.971 3.917 0.054 26054 132 1 2 . 1 1 2 2 LYS H H 2 8.401 8.401 8.387 0.014 26054 133 1 2 . 1 1 3 3 LYS N N 3 118.874 118.874 120.686 -1.812 26054 134 1 2 . 1 1 3 3 LYS HA H 3 4.332 4.332 3.897 0.435 26054 135 1 2 . 1 1 3 3 LYS H H 3 8.269 8.269 8.892 -0.623 26054 136 1 2 . 1 1 4 4 LYS N N 4 124.043 124.043 114.635 9.408 26054 137 1 2 . 1 1 4 4 LYS HA H 4 4.349 4.349 4.633 -0.284 26054 138 1 2 . 1 1 4 4 LYS H H 4 8.395 8.395 8.032 0.363 26054 139 1 2 . 1 1 5 5 CYS N N 5 115.251 115.251 119.988 -4.737 26054 140 1 2 . 1 1 5 5 CYS HA H 5 5.047 5.047 4.256 0.791 26054 141 1 2 . 1 1 5 5 CYS H H 5 7.921 7.921 8.160 -0.239 26054 142 1 2 . 1 1 6 6 ILE N N 6 120.706 120.706 116.085 4.621 26054 143 1 2 . 1 1 6 6 ILE HA H 6 4.763 4.763 4.392 0.371 26054 144 1 2 . 1 1 6 6 ILE H H 6 9.211 9.211 8.316 0.895 26054 145 1 2 . 1 1 7 7 ALA N N 7 136.854 136.854 121.811 15.043 26054 146 1 2 . 1 1 7 7 ALA HA H 7 3.977 3.977 3.892 0.085 26054 147 1 2 . 1 1 7 7 ALA H H 7 8.798 8.798 8.373 0.425 26054 148 1 2 . 1 1 8 8 LYS N N 8 118.663 118.663 119.586 -0.923 26054 149 1 2 . 1 1 8 8 LYS HA H 8 4.102 4.102 4.308 -0.206 26054 150 1 2 . 1 1 8 8 LYS H H 8 7.300 7.300 8.157 -0.857 26054 151 1 2 . 1 1 9 9 ASP N N 9 133.072 133.072 116.361 16.711 26054 152 1 2 . 1 1 9 9 ASP HA H 9 3.974 3.974 4.630 -0.656 26054 153 1 2 . 1 1 9 9 ASP H H 9 9.197 9.197 8.176 1.021 26054 154 1 2 . 1 1 10 10 TYR N N 10 120.909 120.909 120.535 0.374 26054 155 1 2 . 1 1 10 10 TYR HA H 10 4.036 4.036 4.597 -0.561 26054 156 1 2 . 1 1 10 10 TYR H H 10 8.557 8.557 8.041 0.516 26054 157 1 2 . 1 1 11 11 GLY N N 11 104.832 104.832 108.756 -3.924 26054 158 1 2 . 1 1 11 11 GLY H H 11 7.958 7.958 8.009 -0.051 26054 159 1 2 . 1 1 12 12 ARG N N 12 122.926 122.926 120.699 2.227 26054 160 1 2 . 1 1 12 12 ARG HA H 12 4.555 4.555 4.689 -0.134 26054 161 1 2 . 1 1 12 12 ARG H H 12 8.266 8.266 8.489 -0.223 26054 162 1 2 . 1 1 13 13 CYS N N 13 119.507 119.507 122.796 -3.289 26054 163 1 2 . 1 1 13 13 CYS HA H 13 5.019 5.019 4.922 0.097 26054 164 1 2 . 1 1 13 13 CYS H H 13 7.692 7.692 8.172 -0.480 26054 165 1 2 . 1 1 14 14 LYS N N 14 119.666 119.666 125.341 -5.675 26054 166 1 2 . 1 1 14 14 LYS HA H 14 4.577 4.577 4.166 0.411 26054 167 1 2 . 1 1 14 14 LYS H H 14 9.093 9.093 8.171 0.922 26054 168 1 2 . 1 1 15 15 TRP N N 15 129.454 129.454 125.865 3.589 26054 169 1 2 . 1 1 15 15 TRP HA H 15 4.474 4.474 4.438 0.036 26054 170 1 2 . 1 1 15 15 TRP H H 15 9.088 9.088 7.781 1.307 26054 171 1 2 . 1 1 16 16 GLY N N 16 115.369 115.369 106.138 9.231 26054 172 1 2 . 1 1 16 16 GLY H H 16 8.745 8.745 7.966 0.779 26054 173 1 2 . 1 1 17 17 GLY N N 17 108.088 108.088 109.351 -1.263 26054 174 1 2 . 1 1 17 17 GLY H H 17 7.809 7.809 8.085 -0.276 26054 175 1 2 . 1 1 18 18 THR N N 18 121.094 121.094 115.406 5.688 26054 176 1 2 . 1 1 18 18 THR HA H 18 4.330 4.330 4.587 -0.257 26054 177 1 2 . 1 1 18 18 THR H H 18 8.187 8.187 8.006 0.181 26054 178 1 2 . 1 1 19 19 PRO HA H 19 4.512 4.512 4.365 0.147 26054 179 1 2 . 1 1 20 20 CYS N N 20 119.243 119.243 116.207 3.036 26054 180 1 2 . 1 1 20 20 CYS HA H 20 4.760 4.760 4.493 0.267 26054 181 1 2 . 1 1 20 20 CYS H H 20 8.910 8.910 8.168 0.742 26054 182 1 2 . 1 1 21 21 CYS N N 21 119.815 119.815 122.472 -2.657 26054 183 1 2 . 1 1 21 21 CYS HA H 21 4.649 4.649 4.212 0.437 26054 184 1 2 . 1 1 21 21 CYS H H 21 8.559 8.559 8.524 0.035 26054 185 1 2 . 1 1 22 22 ARG N N 22 117.375 117.375 121.922 -4.547 26054 186 1 2 . 1 1 22 22 ARG HA H 22 4.344 4.344 4.290 0.054 26054 187 1 2 . 1 1 22 22 ARG H H 22 7.922 7.922 8.574 -0.652 26054 188 1 2 . 1 1 23 23 GLY N N 23 107.052 107.052 112.147 -5.095 26054 189 1 2 . 1 1 23 23 GLY H H 23 8.566 8.566 8.266 0.300 26054 190 1 2 . 1 1 24 24 ARG N N 24 118.904 118.904 121.323 -2.419 26054 191 1 2 . 1 1 24 24 ARG HA H 24 3.917 3.917 4.348 -0.431 26054 192 1 2 . 1 1 24 24 ARG H H 24 7.386 7.386 8.357 -0.971 26054 193 1 2 . 1 1 25 25 GLY N N 25 110.468 110.468 107.918 2.550 26054 194 1 2 . 1 1 25 25 GLY H H 25 9.232 9.232 7.890 1.342 26054 195 1 2 . 1 1 26 26 CYS N N 26 122.353 122.353 126.390 -4.037 26054 196 1 2 . 1 1 26 26 CYS HA H 26 4.879 4.879 5.426 -0.547 26054 197 1 2 . 1 1 26 26 CYS H H 26 8.462 8.462 8.746 -0.284 26054 198 1 2 . 1 1 27 27 ILE N N 27 130.221 130.221 128.068 2.153 26054 199 1 2 . 1 1 27 27 ILE HA H 27 4.560 4.560 5.025 -0.465 26054 200 1 2 . 1 1 27 27 ILE H H 27 8.866 8.866 8.449 0.417 26054 201 1 2 . 1 1 28 28 CYS N N 28 127.575 127.575 121.872 5.703 26054 202 1 2 . 1 1 28 28 CYS HA H 28 4.990 4.990 5.210 -0.220 26054 203 1 2 . 1 1 28 28 CYS H H 28 8.991 8.991 8.519 0.472 26054 204 1 2 . 1 1 29 29 SER N N 29 116.957 116.957 115.695 1.262 26054 205 1 2 . 1 1 29 29 SER HA H 29 4.604 4.604 4.823 -0.219 26054 206 1 2 . 1 1 29 29 SER H H 29 8.818 8.818 8.527 0.291 26054 207 1 2 . 1 1 30 30 ILE N N 30 120.076 120.076 121.909 -1.833 26054 208 1 2 . 1 1 30 30 ILE HA H 30 4.129 4.129 3.921 0.208 26054 209 1 2 . 1 1 30 30 ILE H H 30 8.649 8.649 8.509 0.140 26054 210 1 2 . 1 1 31 31 MET N N 31 121.623 121.623 118.127 3.496 26054 211 1 2 . 1 1 31 31 MET HA H 31 4.488 4.488 4.614 -0.126 26054 212 1 2 . 1 1 31 31 MET H H 31 8.074 8.074 8.231 -0.157 26054 213 1 2 . 1 1 32 32 GLY N N 32 107.202 107.202 107.798 -0.596 26054 214 1 2 . 1 1 32 32 GLY H H 32 8.233 8.233 8.355 -0.122 26054 215 1 2 . 1 1 33 33 THR N N 33 109.666 109.666 112.716 -3.050 26054 216 1 2 . 1 1 33 33 THR HA H 33 4.618 4.618 4.322 0.296 26054 217 1 2 . 1 1 33 33 THR H H 33 7.514 7.514 7.952 -0.438 26054 218 1 2 . 1 1 34 34 ASN N N 34 118.499 118.499 122.512 -4.013 26054 219 1 2 . 1 1 34 34 ASN HA H 34 4.471 4.471 4.697 -0.226 26054 220 1 2 . 1 1 34 34 ASN H H 34 8.750 8.750 8.536 0.214 26054 221 1 2 . 1 1 35 35 CYS N N 35 119.713 119.713 119.688 0.025 26054 222 1 2 . 1 1 35 35 CYS HA H 35 5.085 5.085 5.099 -0.014 26054 223 1 2 . 1 1 35 35 CYS H H 35 8.374 8.374 8.256 0.118 26054 224 1 2 . 1 1 36 36 GLU N N 36 122.063 122.063 124.239 -2.176 26054 225 1 2 . 1 1 36 36 GLU HA H 36 5.088 5.088 5.185 -0.097 26054 226 1 2 . 1 1 36 36 GLU H H 36 8.712 8.712 8.731 -0.019 26054 227 1 2 . 1 1 37 37 CYS N N 37 120.788 120.788 120.554 0.234 26054 228 1 2 . 1 1 37 37 CYS HA H 37 5.218 5.218 4.697 0.521 26054 229 1 2 . 1 1 37 37 CYS H H 37 8.939 8.939 9.057 -0.118 26054 230 1 2 . 1 1 38 38 LYS N N 38 127.824 127.824 123.284 4.540 26054 231 1 2 . 1 1 38 38 LYS HA H 38 5.217 5.217 4.223 0.994 26054 232 1 2 . 1 1 38 38 LYS H H 38 8.089 8.089 8.128 -0.039 26054 233 1 2 . 1 1 39 39 PRO HA H 39 4.586 4.586 4.301 0.285 26054 234 1 2 . 1 1 40 40 ARG N N 40 124.448 124.448 118.791 5.657 26054 235 1 2 . 1 1 40 40 ARG HA H 40 3.902 3.902 4.187 -0.285 26054 236 1 2 . 1 1 40 40 ARG H H 40 8.052 8.052 8.374 -0.322 26054 237 1 2 . 1 1 41 41 LEU N N 41 118.966 118.966 119.056 -0.090 26054 238 1 2 . 1 1 41 41 LEU HA H 41 3.826 3.826 4.615 -0.789 26054 239 1 2 . 1 1 41 41 LEU H H 41 8.705 8.705 8.299 0.406 26054 240 1 2 . 1 1 42 42 ILE N N 42 133.826 133.826 120.586 13.240 26054 241 1 2 . 1 1 42 42 ILE HA H 42 4.338 4.338 4.345 -0.007 26054 242 1 2 . 1 1 42 42 ILE H H 42 8.224 8.224 7.522 0.702 26054 243 1 2 . 1 1 43 43 MET N N 43 117.955 117.955 126.166 -8.211 26054 244 1 2 . 1 1 43 43 MET HA H 43 4.055 4.055 4.597 -0.542 26054 245 1 2 . 1 1 43 43 MET H H 43 8.223 8.223 8.561 -0.338 26054 246 1 2 . 1 1 44 44 GLU N N 44 116.395 116.395 126.114 -9.719 26054 247 1 2 . 1 1 44 44 GLU HA H 44 4.323 4.323 4.149 0.173 26054 248 1 2 . 1 1 44 44 GLU H H 44 8.601 8.601 8.983 -0.382 26054 249 1 2 . 1 1 45 45 GLY N N 45 110.336 110.336 104.769 5.567 26054 250 1 2 . 1 1 45 45 GLY H H 45 8.189 8.189 8.190 -0.001 26054 251 1 2 . 1 1 46 46 LEU N N 46 116.745 116.745 120.900 -4.155 26054 252 1 2 . 1 1 46 46 LEU HA H 46 4.362 4.362 4.682 -0.320 26054 253 1 2 . 1 1 46 46 LEU H H 46 7.731 7.731 8.323 -0.592 26054 254 1 2 . 1 1 47 47 GLY N N 47 104.013 104.013 106.920 -2.907 26054 255 1 2 . 1 1 47 47 GLY H H 47 7.696 7.696 8.361 -0.665 26054 256 1 2 . 1 1 48 48 LEU N N 48 118.143 118.143 118.623 -0.480 26054 257 1 2 . 1 1 48 48 LEU HA H 48 4.248 4.248 4.563 -0.315 26054 258 1 2 . 1 1 48 48 LEU H H 48 8.123 8.123 7.886 0.237 26054 259 1 3 . 1 1 2 2 LYS N N 2 123.044 123.044 122.013 1.031 26054 260 1 3 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.465 -0.494 26054 261 1 3 . 1 1 2 2 LYS H H 2 8.401 8.401 7.897 0.504 26054 262 1 3 . 1 1 3 3 LYS N N 3 118.874 118.874 121.325 -2.451 26054 263 1 3 . 1 1 3 3 LYS HA H 3 4.332 4.332 4.382 -0.050 26054 264 1 3 . 1 1 3 3 LYS H H 3 8.269 8.269 8.497 -0.228 26054 265 1 3 . 1 1 4 4 LYS N N 4 124.043 124.043 118.834 5.209 26054 266 1 3 . 1 1 4 4 LYS HA H 4 4.349 4.349 4.515 -0.166 26054 267 1 3 . 1 1 4 4 LYS H H 4 8.395 8.395 8.361 0.034 26054 268 1 3 . 1 1 5 5 CYS N N 5 115.251 115.251 119.803 -4.552 26054 269 1 3 . 1 1 5 5 CYS HA H 5 5.047 5.047 4.146 0.901 26054 270 1 3 . 1 1 5 5 CYS H H 5 7.921 7.921 8.459 -0.538 26054 271 1 3 . 1 1 6 6 ILE N N 6 120.706 120.706 116.538 4.168 26054 272 1 3 . 1 1 6 6 ILE HA H 6 4.763 4.763 4.343 0.420 26054 273 1 3 . 1 1 6 6 ILE H H 6 9.211 9.211 7.478 1.733 26054 274 1 3 . 1 1 7 7 ALA N N 7 136.854 136.854 121.734 15.120 26054 275 1 3 . 1 1 7 7 ALA HA H 7 3.977 3.977 4.393 -0.416 26054 276 1 3 . 1 1 7 7 ALA H H 7 8.798 8.798 8.369 0.429 26054 277 1 3 . 1 1 8 8 LYS N N 8 118.663 118.663 118.381 0.282 26054 278 1 3 . 1 1 8 8 LYS HA H 8 4.102 4.102 4.379 -0.277 26054 279 1 3 . 1 1 8 8 LYS H H 8 7.300 7.300 7.620 -0.320 26054 280 1 3 . 1 1 9 9 ASP N N 9 133.072 133.072 115.171 17.901 26054 281 1 3 . 1 1 9 9 ASP HA H 9 3.974 3.974 4.514 -0.540 26054 282 1 3 . 1 1 9 9 ASP H H 9 9.197 9.197 8.519 0.678 26054 283 1 3 . 1 1 10 10 TYR N N 10 120.909 120.909 118.809 2.100 26054 284 1 3 . 1 1 10 10 TYR HA H 10 4.036 4.036 4.609 -0.573 26054 285 1 3 . 1 1 10 10 TYR H H 10 8.557 8.557 7.607 0.950 26054 286 1 3 . 1 1 11 11 GLY N N 11 104.832 104.832 108.564 -3.732 26054 287 1 3 . 1 1 11 11 GLY H H 11 7.958 7.958 8.187 -0.229 26054 288 1 3 . 1 1 12 12 ARG N N 12 122.926 122.926 121.975 0.951 26054 289 1 3 . 1 1 12 12 ARG HA H 12 4.555 4.555 4.331 0.224 26054 290 1 3 . 1 1 12 12 ARG H H 12 8.266 8.266 8.370 -0.104 26054 291 1 3 . 1 1 13 13 CYS N N 13 119.507 119.507 121.331 -1.824 26054 292 1 3 . 1 1 13 13 CYS HA H 13 5.019 5.019 4.641 0.378 26054 293 1 3 . 1 1 13 13 CYS H H 13 7.692 7.692 8.012 -0.320 26054 294 1 3 . 1 1 14 14 LYS N N 14 119.666 119.666 123.379 -3.713 26054 295 1 3 . 1 1 14 14 LYS HA H 14 4.577 4.577 4.593 -0.017 26054 296 1 3 . 1 1 14 14 LYS H H 14 9.093 9.093 8.102 0.991 26054 297 1 3 . 1 1 15 15 TRP N N 15 129.454 129.454 125.554 3.900 26054 298 1 3 . 1 1 15 15 TRP HA H 15 4.474 4.474 4.325 0.149 26054 299 1 3 . 1 1 15 15 TRP H H 15 9.088 9.088 9.011 0.077 26054 300 1 3 . 1 1 16 16 GLY N N 16 115.369 115.369 103.920 11.449 26054 301 1 3 . 1 1 16 16 GLY H H 16 8.745 8.745 8.306 0.439 26054 302 1 3 . 1 1 17 17 GLY N N 17 108.088 108.088 109.979 -1.891 26054 303 1 3 . 1 1 17 17 GLY H H 17 7.809 7.809 7.875 -0.066 26054 304 1 3 . 1 1 18 18 THR N N 18 121.094 121.094 115.024 6.070 26054 305 1 3 . 1 1 18 18 THR HA H 18 4.330 4.330 4.566 -0.236 26054 306 1 3 . 1 1 18 18 THR H H 18 8.187 8.187 7.925 0.262 26054 307 1 3 . 1 1 19 19 PRO HA H 19 4.512 4.512 4.066 0.446 26054 308 1 3 . 1 1 20 20 CYS N N 20 119.243 119.243 116.935 2.308 26054 309 1 3 . 1 1 20 20 CYS HA H 20 4.760 4.760 4.357 0.403 26054 310 1 3 . 1 1 20 20 CYS H H 20 8.910 8.910 7.887 1.023 26054 311 1 3 . 1 1 21 21 CYS N N 21 119.815 119.815 122.811 -2.996 26054 312 1 3 . 1 1 21 21 CYS HA H 21 4.649 4.649 4.161 0.488 26054 313 1 3 . 1 1 21 21 CYS H H 21 8.559 8.559 8.401 0.158 26054 314 1 3 . 1 1 22 22 ARG N N 22 117.375 117.375 121.633 -4.258 26054 315 1 3 . 1 1 22 22 ARG HA H 22 4.344 4.344 4.084 0.260 26054 316 1 3 . 1 1 22 22 ARG H H 22 7.922 7.922 8.208 -0.286 26054 317 1 3 . 1 1 23 23 GLY N N 23 107.052 107.052 111.049 -3.997 26054 318 1 3 . 1 1 23 23 GLY H H 23 8.566 8.566 7.825 0.741 26054 319 1 3 . 1 1 24 24 ARG N N 24 118.904 118.904 120.443 -1.539 26054 320 1 3 . 1 1 24 24 ARG HA H 24 3.917 3.917 4.442 -0.525 26054 321 1 3 . 1 1 24 24 ARG H H 24 7.386 7.386 8.362 -0.976 26054 322 1 3 . 1 1 25 25 GLY N N 25 110.468 110.468 110.860 -0.392 26054 323 1 3 . 1 1 25 25 GLY H H 25 9.232 9.232 8.166 1.066 26054 324 1 3 . 1 1 26 26 CYS N N 26 122.353 122.353 120.812 1.541 26054 325 1 3 . 1 1 26 26 CYS HA H 26 4.879 4.879 4.669 0.210 26054 326 1 3 . 1 1 26 26 CYS H H 26 8.462 8.462 8.095 0.367 26054 327 1 3 . 1 1 27 27 ILE N N 27 130.221 130.221 125.198 5.023 26054 328 1 3 . 1 1 27 27 ILE HA H 27 4.560 4.560 4.557 0.003 26054 329 1 3 . 1 1 27 27 ILE H H 27 8.866 8.866 8.200 0.666 26054 330 1 3 . 1 1 28 28 CYS N N 28 127.575 127.575 123.694 3.881 26054 331 1 3 . 1 1 28 28 CYS HA H 28 4.990 4.990 5.095 -0.105 26054 332 1 3 . 1 1 28 28 CYS H H 28 8.991 8.991 8.546 0.445 26054 333 1 3 . 1 1 29 29 SER N N 29 116.957 116.957 115.756 1.201 26054 334 1 3 . 1 1 29 29 SER HA H 29 4.604 4.604 4.707 -0.103 26054 335 1 3 . 1 1 29 29 SER H H 29 8.818 8.818 8.432 0.386 26054 336 1 3 . 1 1 30 30 ILE N N 30 120.076 120.076 124.181 -4.105 26054 337 1 3 . 1 1 30 30 ILE HA H 30 4.129 4.129 3.863 0.266 26054 338 1 3 . 1 1 30 30 ILE H H 30 8.649 8.649 8.805 -0.156 26054 339 1 3 . 1 1 31 31 MET N N 31 121.623 121.623 117.370 4.253 26054 340 1 3 . 1 1 31 31 MET HA H 31 4.488 4.488 4.474 0.014 26054 341 1 3 . 1 1 31 31 MET H H 31 8.074 8.074 7.621 0.453 26054 342 1 3 . 1 1 32 32 GLY N N 32 107.202 107.202 107.372 -0.170 26054 343 1 3 . 1 1 32 32 GLY H H 32 8.233 8.233 7.986 0.247 26054 344 1 3 . 1 1 33 33 THR N N 33 109.666 109.666 112.256 -2.590 26054 345 1 3 . 1 1 33 33 THR HA H 33 4.618 4.618 4.364 0.254 26054 346 1 3 . 1 1 33 33 THR H H 33 7.514 7.514 7.833 -0.319 26054 347 1 3 . 1 1 34 34 ASN N N 34 118.499 118.499 122.909 -4.410 26054 348 1 3 . 1 1 34 34 ASN HA H 34 4.471 4.471 4.796 -0.325 26054 349 1 3 . 1 1 34 34 ASN H H 34 8.750 8.750 8.622 0.128 26054 350 1 3 . 1 1 35 35 CYS N N 35 119.713 119.713 119.933 -0.220 26054 351 1 3 . 1 1 35 35 CYS HA H 35 5.085 5.085 4.933 0.152 26054 352 1 3 . 1 1 35 35 CYS H H 35 8.374 8.374 8.193 0.181 26054 353 1 3 . 1 1 36 36 GLU N N 36 122.063 122.063 124.181 -2.118 26054 354 1 3 . 1 1 36 36 GLU HA H 36 5.088 5.088 4.721 0.367 26054 355 1 3 . 1 1 36 36 GLU H H 36 8.712 8.712 8.849 -0.137 26054 356 1 3 . 1 1 37 37 CYS N N 37 120.788 120.788 121.226 -0.438 26054 357 1 3 . 1 1 37 37 CYS HA H 37 5.218 5.218 4.735 0.483 26054 358 1 3 . 1 1 37 37 CYS H H 37 8.939 8.939 8.851 0.088 26054 359 1 3 . 1 1 38 38 LYS N N 38 127.824 127.824 128.500 -0.676 26054 360 1 3 . 1 1 38 38 LYS HA H 38 5.217 5.217 5.058 0.159 26054 361 1 3 . 1 1 38 38 LYS H H 38 8.089 8.089 7.743 0.346 26054 362 1 3 . 1 1 39 39 PRO HA H 39 4.586 4.586 4.673 -0.087 26054 363 1 3 . 1 1 40 40 ARG N N 40 124.448 124.448 117.620 6.828 26054 364 1 3 . 1 1 40 40 ARG HA H 40 3.902 3.902 4.518 -0.616 26054 365 1 3 . 1 1 40 40 ARG H H 40 8.052 8.052 8.201 -0.149 26054 366 1 3 . 1 1 41 41 LEU N N 41 118.966 118.966 122.654 -3.688 26054 367 1 3 . 1 1 41 41 LEU HA H 41 3.826 3.826 4.236 -0.410 26054 368 1 3 . 1 1 41 41 LEU H H 41 8.705 8.705 8.490 0.215 26054 369 1 3 . 1 1 42 42 ILE N N 42 133.826 133.826 119.419 14.407 26054 370 1 3 . 1 1 42 42 ILE HA H 42 4.338 4.338 4.091 0.247 26054 371 1 3 . 1 1 42 42 ILE H H 42 8.224 8.224 8.104 0.120 26054 372 1 3 . 1 1 43 43 MET N N 43 117.955 117.955 119.447 -1.492 26054 373 1 3 . 1 1 43 43 MET HA H 43 4.055 4.055 4.623 -0.568 26054 374 1 3 . 1 1 43 43 MET H H 43 8.223 8.223 7.630 0.593 26054 375 1 3 . 1 1 44 44 GLU N N 44 116.395 116.395 123.373 -6.978 26054 376 1 3 . 1 1 44 44 GLU HA H 44 4.323 4.323 4.234 0.089 26054 377 1 3 . 1 1 44 44 GLU H H 44 8.601 8.601 8.634 -0.033 26054 378 1 3 . 1 1 45 45 GLY N N 45 110.336 110.336 107.610 2.726 26054 379 1 3 . 1 1 45 45 GLY H H 45 8.189 8.189 8.226 -0.037 26054 380 1 3 . 1 1 46 46 LEU N N 46 116.745 116.745 120.257 -3.512 26054 381 1 3 . 1 1 46 46 LEU HA H 46 4.362 4.362 4.639 -0.277 26054 382 1 3 . 1 1 46 46 LEU H H 46 7.731 7.731 7.622 0.109 26054 383 1 3 . 1 1 47 47 GLY N N 47 104.013 104.013 108.520 -4.507 26054 384 1 3 . 1 1 47 47 GLY H H 47 7.696 7.696 8.738 -1.042 26054 385 1 3 . 1 1 48 48 LEU N N 48 118.143 118.143 120.722 -2.579 26054 386 1 3 . 1 1 48 48 LEU HA H 48 4.248 4.248 4.452 -0.204 26054 387 1 3 . 1 1 48 48 LEU H H 48 8.123 8.123 7.691 0.432 26054 388 1 4 . 1 1 2 2 LYS N N 2 123.044 123.044 118.823 4.221 26054 389 1 4 . 1 1 2 2 LYS HA H 2 3.971 3.971 3.974 -0.003 26054 390 1 4 . 1 1 2 2 LYS H H 2 8.401 8.401 8.450 -0.049 26054 391 1 4 . 1 1 3 3 LYS N N 3 118.874 118.874 117.067 1.807 26054 392 1 4 . 1 1 3 3 LYS HA H 3 4.332 4.332 4.468 -0.136 26054 393 1 4 . 1 1 3 3 LYS H H 3 8.269 8.269 8.070 0.199 26054 394 1 4 . 1 1 4 4 LYS N N 4 124.043 124.043 119.140 4.903 26054 395 1 4 . 1 1 4 4 LYS HA H 4 4.349 4.349 4.284 0.065 26054 396 1 4 . 1 1 4 4 LYS H H 4 8.395 8.395 7.895 0.500 26054 397 1 4 . 1 1 5 5 CYS N N 5 115.251 115.251 117.488 -2.237 26054 398 1 4 . 1 1 5 5 CYS HA H 5 5.047 5.047 4.551 0.496 26054 399 1 4 . 1 1 5 5 CYS H H 5 7.921 7.921 8.188 -0.267 26054 400 1 4 . 1 1 6 6 ILE N N 6 120.706 120.706 115.776 4.930 26054 401 1 4 . 1 1 6 6 ILE HA H 6 4.763 4.763 4.479 0.284 26054 402 1 4 . 1 1 6 6 ILE H H 6 9.211 9.211 7.872 1.339 26054 403 1 4 . 1 1 7 7 ALA N N 7 136.854 136.854 121.374 15.480 26054 404 1 4 . 1 1 7 7 ALA HA H 7 3.977 3.977 4.604 -0.627 26054 405 1 4 . 1 1 7 7 ALA H H 7 8.798 8.798 8.205 0.593 26054 406 1 4 . 1 1 8 8 LYS N N 8 118.663 118.663 119.433 -0.770 26054 407 1 4 . 1 1 8 8 LYS HA H 8 4.102 4.102 4.134 -0.032 26054 408 1 4 . 1 1 8 8 LYS H H 8 7.300 7.300 8.028 -0.728 26054 409 1 4 . 1 1 9 9 ASP N N 9 133.072 133.072 117.112 15.960 26054 410 1 4 . 1 1 9 9 ASP HA H 9 3.974 3.974 4.065 -0.091 26054 411 1 4 . 1 1 9 9 ASP H H 9 9.197 9.197 7.842 1.355 26054 412 1 4 . 1 1 10 10 TYR N N 10 120.909 120.909 118.817 2.092 26054 413 1 4 . 1 1 10 10 TYR HA H 10 4.036 4.036 4.003 0.033 26054 414 1 4 . 1 1 10 10 TYR H H 10 8.557 8.557 7.811 0.746 26054 415 1 4 . 1 1 11 11 GLY N N 11 104.832 104.832 106.801 -1.969 26054 416 1 4 . 1 1 11 11 GLY H H 11 7.958 7.958 8.214 -0.256 26054 417 1 4 . 1 1 12 12 ARG N N 12 122.926 122.926 122.931 -0.005 26054 418 1 4 . 1 1 12 12 ARG HA H 12 4.555 4.555 4.363 0.192 26054 419 1 4 . 1 1 12 12 ARG H H 12 8.266 8.266 8.341 -0.075 26054 420 1 4 . 1 1 13 13 CYS N N 13 119.507 119.507 120.032 -0.525 26054 421 1 4 . 1 1 13 13 CYS HA H 13 5.019 5.019 5.139 -0.120 26054 422 1 4 . 1 1 13 13 CYS H H 13 7.692 7.692 8.787 -1.095 26054 423 1 4 . 1 1 14 14 LYS N N 14 119.666 119.666 120.593 -0.927 26054 424 1 4 . 1 1 14 14 LYS HA H 14 4.577 4.577 4.699 -0.122 26054 425 1 4 . 1 1 14 14 LYS H H 14 9.093 9.093 8.611 0.482 26054 426 1 4 . 1 1 15 15 TRP N N 15 129.454 129.454 126.079 3.375 26054 427 1 4 . 1 1 15 15 TRP HA H 15 4.474 4.474 4.367 0.107 26054 428 1 4 . 1 1 15 15 TRP H H 15 9.088 9.088 9.181 -0.093 26054 429 1 4 . 1 1 16 16 GLY N N 16 115.369 115.369 103.133 12.236 26054 430 1 4 . 1 1 16 16 GLY H H 16 8.745 8.745 8.161 0.584 26054 431 1 4 . 1 1 17 17 GLY N N 17 108.088 108.088 109.128 -1.040 26054 432 1 4 . 1 1 17 17 GLY H H 17 7.809 7.809 7.951 -0.142 26054 433 1 4 . 1 1 18 18 THR N N 18 121.094 121.094 115.328 5.766 26054 434 1 4 . 1 1 18 18 THR HA H 18 4.330 4.330 4.247 0.083 26054 435 1 4 . 1 1 18 18 THR H H 18 8.187 8.187 8.016 0.171 26054 436 1 4 . 1 1 19 19 PRO HA H 19 4.512 4.512 4.231 0.281 26054 437 1 4 . 1 1 20 20 CYS N N 20 119.243 119.243 116.627 2.616 26054 438 1 4 . 1 1 20 20 CYS HA H 20 4.760 4.760 4.060 0.700 26054 439 1 4 . 1 1 20 20 CYS H H 20 8.910 8.910 8.019 0.891 26054 440 1 4 . 1 1 21 21 CYS N N 21 119.815 119.815 120.858 -1.043 26054 441 1 4 . 1 1 21 21 CYS HA H 21 4.649 4.649 4.030 0.619 26054 442 1 4 . 1 1 21 21 CYS H H 21 8.559 8.559 8.571 -0.012 26054 443 1 4 . 1 1 22 22 ARG N N 22 117.375 117.375 121.470 -4.095 26054 444 1 4 . 1 1 22 22 ARG HA H 22 4.344 4.344 4.143 0.201 26054 445 1 4 . 1 1 22 22 ARG H H 22 7.922 7.922 7.859 0.063 26054 446 1 4 . 1 1 23 23 GLY N N 23 107.052 107.052 111.813 -4.761 26054 447 1 4 . 1 1 23 23 GLY H H 23 8.566 8.566 8.440 0.126 26054 448 1 4 . 1 1 24 24 ARG N N 24 118.904 118.904 119.459 -0.555 26054 449 1 4 . 1 1 24 24 ARG HA H 24 3.917 3.917 4.301 -0.384 26054 450 1 4 . 1 1 24 24 ARG H H 24 7.386 7.386 8.135 -0.749 26054 451 1 4 . 1 1 25 25 GLY N N 25 110.468 110.468 109.542 0.926 26054 452 1 4 . 1 1 25 25 GLY H H 25 9.232 9.232 7.962 1.270 26054 453 1 4 . 1 1 26 26 CYS N N 26 122.353 122.353 124.760 -2.407 26054 454 1 4 . 1 1 26 26 CYS HA H 26 4.879 4.879 4.623 0.256 26054 455 1 4 . 1 1 26 26 CYS H H 26 8.462 8.462 8.691 -0.229 26054 456 1 4 . 1 1 27 27 ILE N N 27 130.221 130.221 126.347 3.874 26054 457 1 4 . 1 1 27 27 ILE HA H 27 4.560 4.560 4.335 0.225 26054 458 1 4 . 1 1 27 27 ILE H H 27 8.866 8.866 7.981 0.885 26054 459 1 4 . 1 1 28 28 CYS N N 28 127.575 127.575 126.663 0.912 26054 460 1 4 . 1 1 28 28 CYS HA H 28 4.990 4.990 5.065 -0.075 26054 461 1 4 . 1 1 28 28 CYS H H 28 8.991 8.991 8.509 0.482 26054 462 1 4 . 1 1 29 29 SER N N 29 116.957 116.957 115.630 1.327 26054 463 1 4 . 1 1 29 29 SER HA H 29 4.604 4.604 4.504 0.100 26054 464 1 4 . 1 1 29 29 SER H H 29 8.818 8.818 8.491 0.327 26054 465 1 4 . 1 1 30 30 ILE N N 30 120.076 120.076 122.557 -2.481 26054 466 1 4 . 1 1 30 30 ILE HA H 30 4.129 4.129 3.885 0.244 26054 467 1 4 . 1 1 30 30 ILE H H 30 8.649 8.649 8.579 0.070 26054 468 1 4 . 1 1 31 31 MET N N 31 121.623 121.623 118.135 3.488 26054 469 1 4 . 1 1 31 31 MET HA H 31 4.488 4.488 4.624 -0.136 26054 470 1 4 . 1 1 31 31 MET H H 31 8.074 8.074 8.191 -0.117 26054 471 1 4 . 1 1 32 32 GLY N N 32 107.202 107.202 107.578 -0.376 26054 472 1 4 . 1 1 32 32 GLY H H 32 8.233 8.233 7.866 0.367 26054 473 1 4 . 1 1 33 33 THR N N 33 109.666 109.666 111.911 -2.245 26054 474 1 4 . 1 1 33 33 THR HA H 33 4.618 4.618 4.463 0.155 26054 475 1 4 . 1 1 33 33 THR H H 33 7.514 7.514 7.798 -0.284 26054 476 1 4 . 1 1 34 34 ASN N N 34 118.499 118.499 121.261 -2.762 26054 477 1 4 . 1 1 34 34 ASN HA H 34 4.471 4.471 4.765 -0.294 26054 478 1 4 . 1 1 34 34 ASN H H 34 8.750 8.750 8.493 0.257 26054 479 1 4 . 1 1 35 35 CYS N N 35 119.713 119.713 121.320 -1.607 26054 480 1 4 . 1 1 35 35 CYS HA H 35 5.085 5.085 4.804 0.281 26054 481 1 4 . 1 1 35 35 CYS H H 35 8.374 8.374 7.872 0.502 26054 482 1 4 . 1 1 36 36 GLU N N 36 122.063 122.063 125.145 -3.082 26054 483 1 4 . 1 1 36 36 GLU HA H 36 5.088 5.088 5.017 0.071 26054 484 1 4 . 1 1 36 36 GLU H H 36 8.712 8.712 8.814 -0.102 26054 485 1 4 . 1 1 37 37 CYS N N 37 120.788 120.788 121.897 -1.109 26054 486 1 4 . 1 1 37 37 CYS HA H 37 5.218 5.218 4.521 0.697 26054 487 1 4 . 1 1 37 37 CYS H H 37 8.939 8.939 9.231 -0.292 26054 488 1 4 . 1 1 38 38 LYS N N 38 127.824 127.824 125.222 2.602 26054 489 1 4 . 1 1 38 38 LYS HA H 38 5.217 5.217 4.824 0.393 26054 490 1 4 . 1 1 38 38 LYS H H 38 8.089 8.089 8.644 -0.555 26054 491 1 4 . 1 1 39 39 PRO HA H 39 4.586 4.586 4.648 -0.062 26054 492 1 4 . 1 1 40 40 ARG N N 40 124.448 124.448 120.001 4.447 26054 493 1 4 . 1 1 40 40 ARG HA H 40 3.902 3.902 4.642 -0.740 26054 494 1 4 . 1 1 40 40 ARG H H 40 8.052 8.052 8.447 -0.395 26054 495 1 4 . 1 1 41 41 LEU N N 41 118.966 118.966 121.969 -3.003 26054 496 1 4 . 1 1 41 41 LEU HA H 41 3.826 3.826 4.568 -0.742 26054 497 1 4 . 1 1 41 41 LEU H H 41 8.705 8.705 8.575 0.130 26054 498 1 4 . 1 1 42 42 ILE N N 42 133.826 133.826 122.562 11.264 26054 499 1 4 . 1 1 42 42 ILE HA H 42 4.338 4.338 3.983 0.355 26054 500 1 4 . 1 1 42 42 ILE H H 42 8.224 8.224 7.816 0.408 26054 501 1 4 . 1 1 43 43 MET N N 43 117.955 117.955 124.068 -6.113 26054 502 1 4 . 1 1 43 43 MET HA H 43 4.055 4.055 4.277 -0.222 26054 503 1 4 . 1 1 43 43 MET H H 43 8.223 8.223 8.267 -0.044 26054 504 1 4 . 1 1 44 44 GLU N N 44 116.395 116.395 119.583 -3.188 26054 505 1 4 . 1 1 44 44 GLU HA H 44 4.323 4.323 4.004 0.319 26054 506 1 4 . 1 1 44 44 GLU H H 44 8.601 8.601 8.740 -0.139 26054 507 1 4 . 1 1 45 45 GLY N N 45 110.336 110.336 105.766 4.570 26054 508 1 4 . 1 1 45 45 GLY H H 45 8.189 8.189 7.845 0.344 26054 509 1 4 . 1 1 46 46 LEU N N 46 116.745 116.745 122.614 -5.869 26054 510 1 4 . 1 1 46 46 LEU HA H 46 4.362 4.362 4.651 -0.289 26054 511 1 4 . 1 1 46 46 LEU H H 46 7.731 7.731 7.868 -0.137 26054 512 1 4 . 1 1 47 47 GLY N N 47 104.013 104.013 112.639 -8.626 26054 513 1 4 . 1 1 47 47 GLY H H 47 7.696 7.696 8.859 -1.163 26054 514 1 4 . 1 1 48 48 LEU N N 48 118.143 118.143 121.584 -3.441 26054 515 1 4 . 1 1 48 48 LEU HA H 48 4.248 4.248 4.659 -0.411 26054 516 1 4 . 1 1 48 48 LEU H H 48 8.123 8.123 8.382 -0.259 26054 517 1 5 . 1 1 2 2 LYS N N 2 123.044 123.044 122.360 0.684 26054 518 1 5 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.562 -0.591 26054 519 1 5 . 1 1 2 2 LYS H H 2 8.401 8.401 8.366 0.035 26054 520 1 5 . 1 1 3 3 LYS N N 3 118.874 118.874 119.770 -0.896 26054 521 1 5 . 1 1 3 3 LYS HA H 3 4.332 4.332 4.533 -0.201 26054 522 1 5 . 1 1 3 3 LYS H H 3 8.269 8.269 7.927 0.342 26054 523 1 5 . 1 1 4 4 LYS N N 4 124.043 124.043 120.232 3.811 26054 524 1 5 . 1 1 4 4 LYS HA H 4 4.349 4.349 4.436 -0.087 26054 525 1 5 . 1 1 4 4 LYS H H 4 8.395 8.395 8.437 -0.042 26054 526 1 5 . 1 1 5 5 CYS N N 5 115.251 115.251 116.137 -0.886 26054 527 1 5 . 1 1 5 5 CYS HA H 5 5.047 5.047 4.248 0.799 26054 528 1 5 . 1 1 5 5 CYS H H 5 7.921 7.921 7.980 -0.059 26054 529 1 5 . 1 1 6 6 ILE N N 6 120.706 120.706 116.890 3.816 26054 530 1 5 . 1 1 6 6 ILE HA H 6 4.763 4.763 4.104 0.659 26054 531 1 5 . 1 1 6 6 ILE H H 6 9.211 9.211 7.860 1.351 26054 532 1 5 . 1 1 7 7 ALA N N 7 136.854 136.854 123.154 13.700 26054 533 1 5 . 1 1 7 7 ALA HA H 7 3.977 3.977 4.635 -0.658 26054 534 1 5 . 1 1 7 7 ALA H H 7 8.798 8.798 8.559 0.239 26054 535 1 5 . 1 1 8 8 LYS N N 8 118.663 118.663 116.637 2.026 26054 536 1 5 . 1 1 8 8 LYS HA H 8 4.102 4.102 4.368 -0.266 26054 537 1 5 . 1 1 8 8 LYS H H 8 7.300 7.300 8.177 -0.877 26054 538 1 5 . 1 1 9 9 ASP N N 9 133.072 133.072 118.196 14.876 26054 539 1 5 . 1 1 9 9 ASP HA H 9 3.974 3.974 4.162 -0.188 26054 540 1 5 . 1 1 9 9 ASP H H 9 9.197 9.197 7.750 1.446 26054 541 1 5 . 1 1 10 10 TYR N N 10 120.909 120.909 118.725 2.184 26054 542 1 5 . 1 1 10 10 TYR HA H 10 4.036 4.036 3.865 0.171 26054 543 1 5 . 1 1 10 10 TYR H H 10 8.557 8.557 7.775 0.782 26054 544 1 5 . 1 1 11 11 GLY N N 11 104.832 104.832 106.801 -1.969 26054 545 1 5 . 1 1 11 11 GLY H H 11 7.958 7.958 8.268 -0.309 26054 546 1 5 . 1 1 12 12 ARG N N 12 122.926 122.926 124.806 -1.880 26054 547 1 5 . 1 1 12 12 ARG HA H 12 4.555 4.555 5.068 -0.513 26054 548 1 5 . 1 1 12 12 ARG H H 12 8.266 8.266 8.331 -0.065 26054 549 1 5 . 1 1 13 13 CYS N N 13 119.507 119.507 121.774 -2.267 26054 550 1 5 . 1 1 13 13 CYS HA H 13 5.019 5.019 4.922 0.097 26054 551 1 5 . 1 1 13 13 CYS H H 13 7.692 7.692 8.299 -0.607 26054 552 1 5 . 1 1 14 14 LYS N N 14 119.666 119.666 121.786 -2.120 26054 553 1 5 . 1 1 14 14 LYS HA H 14 4.577 4.577 4.206 0.371 26054 554 1 5 . 1 1 14 14 LYS H H 14 9.093 9.093 8.245 0.848 26054 555 1 5 . 1 1 15 15 TRP N N 15 129.454 129.454 126.743 2.711 26054 556 1 5 . 1 1 15 15 TRP HA H 15 4.474 4.474 4.453 0.021 26054 557 1 5 . 1 1 15 15 TRP H H 15 9.088 9.088 7.739 1.349 26054 558 1 5 . 1 1 16 16 GLY N N 16 115.369 115.369 112.408 2.961 26054 559 1 5 . 1 1 16 16 GLY H H 16 8.745 8.745 8.703 0.042 26054 560 1 5 . 1 1 17 17 GLY N N 17 108.088 108.088 109.416 -1.328 26054 561 1 5 . 1 1 17 17 GLY H H 17 7.809 7.809 7.927 -0.118 26054 562 1 5 . 1 1 18 18 THR N N 18 121.094 121.094 114.152 6.942 26054 563 1 5 . 1 1 18 18 THR HA H 18 4.330 4.330 4.128 0.202 26054 564 1 5 . 1 1 18 18 THR H H 18 8.187 8.187 8.091 0.096 26054 565 1 5 . 1 1 19 19 PRO HA H 19 4.512 4.512 4.403 0.109 26054 566 1 5 . 1 1 20 20 CYS N N 20 119.243 119.243 120.412 -1.169 26054 567 1 5 . 1 1 20 20 CYS HA H 20 4.760 4.760 4.598 0.162 26054 568 1 5 . 1 1 20 20 CYS H H 20 8.910 8.910 8.370 0.540 26054 569 1 5 . 1 1 21 21 CYS N N 21 119.815 119.815 124.196 -4.381 26054 570 1 5 . 1 1 21 21 CYS HA H 21 4.649 4.649 4.190 0.459 26054 571 1 5 . 1 1 21 21 CYS H H 21 8.559 8.559 8.681 -0.122 26054 572 1 5 . 1 1 22 22 ARG N N 22 117.375 117.375 120.891 -3.516 26054 573 1 5 . 1 1 22 22 ARG HA H 22 4.344 4.344 4.145 0.199 26054 574 1 5 . 1 1 22 22 ARG H H 22 7.922 7.922 8.023 -0.101 26054 575 1 5 . 1 1 23 23 GLY N N 23 107.052 107.052 112.048 -4.996 26054 576 1 5 . 1 1 23 23 GLY H H 23 8.566 8.566 8.396 0.170 26054 577 1 5 . 1 1 24 24 ARG N N 24 118.904 118.904 120.737 -1.833 26054 578 1 5 . 1 1 24 24 ARG HA H 24 3.917 3.917 4.309 -0.392 26054 579 1 5 . 1 1 24 24 ARG H H 24 7.386 7.386 8.320 -0.934 26054 580 1 5 . 1 1 25 25 GLY N N 25 110.468 110.468 107.461 3.007 26054 581 1 5 . 1 1 25 25 GLY H H 25 9.232 9.232 7.907 1.325 26054 582 1 5 . 1 1 26 26 CYS N N 26 122.353 122.353 123.256 -0.903 26054 583 1 5 . 1 1 26 26 CYS HA H 26 4.879 4.879 5.330 -0.451 26054 584 1 5 . 1 1 26 26 CYS H H 26 8.462 8.462 7.808 0.654 26054 585 1 5 . 1 1 27 27 ILE N N 27 130.221 130.221 126.921 3.300 26054 586 1 5 . 1 1 27 27 ILE HA H 27 4.560 4.560 4.579 -0.019 26054 587 1 5 . 1 1 27 27 ILE H H 27 8.866 8.866 8.299 0.567 26054 588 1 5 . 1 1 28 28 CYS N N 28 127.575 127.575 124.284 3.291 26054 589 1 5 . 1 1 28 28 CYS HA H 28 4.990 4.990 4.824 0.166 26054 590 1 5 . 1 1 28 28 CYS H H 28 8.991 8.991 8.443 0.548 26054 591 1 5 . 1 1 29 29 SER N N 29 116.957 116.957 115.469 1.488 26054 592 1 5 . 1 1 29 29 SER HA H 29 4.604 4.604 4.734 -0.130 26054 593 1 5 . 1 1 29 29 SER H H 29 8.818 8.818 8.354 0.464 26054 594 1 5 . 1 1 30 30 ILE N N 30 120.076 120.076 122.764 -2.688 26054 595 1 5 . 1 1 30 30 ILE HA H 30 4.129 4.129 3.893 0.236 26054 596 1 5 . 1 1 30 30 ILE H H 30 8.649 8.649 8.415 0.234 26054 597 1 5 . 1 1 31 31 MET N N 31 121.623 121.623 117.988 3.635 26054 598 1 5 . 1 1 31 31 MET HA H 31 4.488 4.488 4.686 -0.198 26054 599 1 5 . 1 1 31 31 MET H H 31 8.074 8.074 8.209 -0.135 26054 600 1 5 . 1 1 32 32 GLY N N 32 107.202 107.202 108.964 -1.762 26054 601 1 5 . 1 1 32 32 GLY H H 32 8.233 8.233 8.374 -0.141 26054 602 1 5 . 1 1 33 33 THR N N 33 109.666 109.666 112.858 -3.192 26054 603 1 5 . 1 1 33 33 THR HA H 33 4.618 4.618 4.383 0.235 26054 604 1 5 . 1 1 33 33 THR H H 33 7.514 7.514 7.968 -0.454 26054 605 1 5 . 1 1 34 34 ASN N N 34 118.499 118.499 120.433 -1.934 26054 606 1 5 . 1 1 34 34 ASN HA H 34 4.471 4.471 4.883 -0.412 26054 607 1 5 . 1 1 34 34 ASN H H 34 8.750 8.750 8.362 0.388 26054 608 1 5 . 1 1 35 35 CYS N N 35 119.713 119.713 120.213 -0.500 26054 609 1 5 . 1 1 35 35 CYS HA H 35 5.085 5.085 4.571 0.514 26054 610 1 5 . 1 1 35 35 CYS H H 35 8.374 8.374 8.375 -0.001 26054 611 1 5 . 1 1 36 36 GLU N N 36 122.063 122.063 125.557 -3.494 26054 612 1 5 . 1 1 36 36 GLU HA H 36 5.088 5.088 4.725 0.363 26054 613 1 5 . 1 1 36 36 GLU H H 36 8.712 8.712 8.681 0.031 26054 614 1 5 . 1 1 37 37 CYS N N 37 120.788 120.788 126.201 -5.413 26054 615 1 5 . 1 1 37 37 CYS HA H 37 5.218 5.218 4.581 0.637 26054 616 1 5 . 1 1 37 37 CYS H H 37 8.939 8.939 9.110 -0.171 26054 617 1 5 . 1 1 38 38 LYS N N 38 127.824 127.824 128.571 -0.747 26054 618 1 5 . 1 1 38 38 LYS HA H 38 5.217 5.217 4.720 0.497 26054 619 1 5 . 1 1 38 38 LYS H H 38 8.089 8.089 8.799 -0.710 26054 620 1 5 . 1 1 39 39 PRO HA H 39 4.586 4.586 4.337 0.249 26054 621 1 5 . 1 1 40 40 ARG N N 40 124.448 124.448 114.342 10.106 26054 622 1 5 . 1 1 40 40 ARG HA H 40 3.902 3.902 4.424 -0.522 26054 623 1 5 . 1 1 40 40 ARG H H 40 8.052 8.052 7.812 0.240 26054 624 1 5 . 1 1 41 41 LEU N N 41 118.966 118.966 119.566 -0.600 26054 625 1 5 . 1 1 41 41 LEU HA H 41 3.826 3.826 4.462 -0.636 26054 626 1 5 . 1 1 41 41 LEU H H 41 8.705 8.705 8.216 0.489 26054 627 1 5 . 1 1 42 42 ILE N N 42 133.826 133.826 119.195 14.631 26054 628 1 5 . 1 1 42 42 ILE HA H 42 4.338 4.338 3.983 0.355 26054 629 1 5 . 1 1 42 42 ILE H H 42 8.224 8.224 8.193 0.031 26054 630 1 5 . 1 1 43 43 MET N N 43 117.955 117.955 119.319 -1.364 26054 631 1 5 . 1 1 43 43 MET HA H 43 4.055 4.055 4.346 -0.291 26054 632 1 5 . 1 1 43 43 MET H H 43 8.223 8.223 7.539 0.684 26054 633 1 5 . 1 1 44 44 GLU N N 44 116.395 116.395 123.990 -7.595 26054 634 1 5 . 1 1 44 44 GLU HA H 44 4.323 4.323 4.208 0.115 26054 635 1 5 . 1 1 44 44 GLU H H 44 8.601 8.601 8.845 -0.244 26054 636 1 5 . 1 1 45 45 GLY N N 45 110.336 110.336 108.142 2.194 26054 637 1 5 . 1 1 45 45 GLY H H 45 8.189 8.189 7.850 0.339 26054 638 1 5 . 1 1 46 46 LEU N N 46 116.745 116.745 118.200 -1.455 26054 639 1 5 . 1 1 46 46 LEU HA H 46 4.362 4.362 4.061 0.301 26054 640 1 5 . 1 1 46 46 LEU H H 46 7.731 7.731 8.215 -0.484 26054 641 1 5 . 1 1 47 47 GLY N N 47 104.013 104.013 105.920 -1.907 26054 642 1 5 . 1 1 47 47 GLY H H 47 7.696 7.696 8.378 -0.682 26054 643 1 5 . 1 1 48 48 LEU N N 48 118.143 118.143 120.619 -2.476 26054 644 1 5 . 1 1 48 48 LEU HA H 48 4.248 4.248 4.899 -0.651 26054 645 1 5 . 1 1 48 48 LEU H H 48 8.123 8.123 8.076 0.047 26054 646 1 6 . 1 1 2 2 LYS N N 2 123.044 123.044 120.509 2.535 26054 647 1 6 . 1 1 2 2 LYS HA H 2 3.971 3.971 3.961 0.010 26054 648 1 6 . 1 1 2 2 LYS H H 2 8.401 8.401 8.100 0.301 26054 649 1 6 . 1 1 3 3 LYS N N 3 118.874 118.874 120.421 -1.547 26054 650 1 6 . 1 1 3 3 LYS HA H 3 4.332 4.332 4.068 0.264 26054 651 1 6 . 1 1 3 3 LYS H H 3 8.269 8.269 8.273 -0.004 26054 652 1 6 . 1 1 4 4 LYS N N 4 124.043 124.043 121.262 2.781 26054 653 1 6 . 1 1 4 4 LYS HA H 4 4.349 4.349 4.178 0.171 26054 654 1 6 . 1 1 4 4 LYS H H 4 8.395 8.395 8.486 -0.091 26054 655 1 6 . 1 1 5 5 CYS N N 5 115.251 115.251 117.058 -1.807 26054 656 1 6 . 1 1 5 5 CYS HA H 5 5.047 5.047 4.213 0.834 26054 657 1 6 . 1 1 5 5 CYS H H 5 7.921 7.921 8.086 -0.165 26054 658 1 6 . 1 1 6 6 ILE N N 6 120.706 120.706 117.983 2.723 26054 659 1 6 . 1 1 6 6 ILE HA H 6 4.763 4.763 4.501 0.262 26054 660 1 6 . 1 1 6 6 ILE H H 6 9.211 9.211 7.891 1.320 26054 661 1 6 . 1 1 7 7 ALA N N 7 136.854 136.854 121.541 15.313 26054 662 1 6 . 1 1 7 7 ALA HA H 7 3.977 3.977 4.580 -0.603 26054 663 1 6 . 1 1 7 7 ALA H H 7 8.798 8.798 8.333 0.465 26054 664 1 6 . 1 1 8 8 LYS N N 8 118.663 118.663 120.318 -1.655 26054 665 1 6 . 1 1 8 8 LYS HA H 8 4.102 4.102 4.374 -0.272 26054 666 1 6 . 1 1 8 8 LYS H H 8 7.300 7.300 8.017 -0.717 26054 667 1 6 . 1 1 9 9 ASP N N 9 133.072 133.072 121.632 11.440 26054 668 1 6 . 1 1 9 9 ASP HA H 9 3.974 3.974 4.305 -0.331 26054 669 1 6 . 1 1 9 9 ASP H H 9 9.197 9.197 7.701 1.496 26054 670 1 6 . 1 1 10 10 TYR N N 10 120.909 120.909 119.839 1.070 26054 671 1 6 . 1 1 10 10 TYR HA H 10 4.036 4.036 3.869 0.167 26054 672 1 6 . 1 1 10 10 TYR H H 10 8.557 8.557 7.764 0.793 26054 673 1 6 . 1 1 11 11 GLY N N 11 104.832 104.832 107.016 -2.184 26054 674 1 6 . 1 1 11 11 GLY H H 11 7.958 7.958 8.334 -0.376 26054 675 1 6 . 1 1 12 12 ARG N N 12 122.926 122.926 124.410 -1.484 26054 676 1 6 . 1 1 12 12 ARG HA H 12 4.555 4.555 4.781 -0.226 26054 677 1 6 . 1 1 12 12 ARG H H 12 8.266 8.266 8.336 -0.070 26054 678 1 6 . 1 1 13 13 CYS N N 13 119.507 119.507 123.865 -4.358 26054 679 1 6 . 1 1 13 13 CYS HA H 13 5.019 5.019 4.664 0.355 26054 680 1 6 . 1 1 13 13 CYS H H 13 7.692 7.692 8.310 -0.618 26054 681 1 6 . 1 1 14 14 LYS N N 14 119.666 119.666 125.810 -6.144 26054 682 1 6 . 1 1 14 14 LYS HA H 14 4.577 4.577 4.165 0.412 26054 683 1 6 . 1 1 14 14 LYS H H 14 9.093 9.093 8.247 0.846 26054 684 1 6 . 1 1 15 15 TRP N N 15 129.454 129.454 125.501 3.953 26054 685 1 6 . 1 1 15 15 TRP HA H 15 4.474 4.474 4.535 -0.061 26054 686 1 6 . 1 1 15 15 TRP H H 15 9.088 9.088 7.528 1.560 26054 687 1 6 . 1 1 16 16 GLY N N 16 115.369 115.369 104.901 10.468 26054 688 1 6 . 1 1 16 16 GLY H H 16 8.745 8.745 7.830 0.915 26054 689 1 6 . 1 1 17 17 GLY N N 17 108.088 108.088 109.009 -0.921 26054 690 1 6 . 1 1 17 17 GLY H H 17 7.809 7.809 7.770 0.039 26054 691 1 6 . 1 1 18 18 THR N N 18 121.094 121.094 115.373 5.721 26054 692 1 6 . 1 1 18 18 THR HA H 18 4.330 4.330 4.702 -0.372 26054 693 1 6 . 1 1 18 18 THR H H 18 8.187 8.187 8.008 0.179 26054 694 1 6 . 1 1 19 19 PRO HA H 19 4.512 4.512 4.463 0.049 26054 695 1 6 . 1 1 20 20 CYS N N 20 119.243 119.243 117.452 1.791 26054 696 1 6 . 1 1 20 20 CYS HA H 20 4.760 4.760 4.647 0.113 26054 697 1 6 . 1 1 20 20 CYS H H 20 8.910 8.910 8.267 0.643 26054 698 1 6 . 1 1 21 21 CYS N N 21 119.815 119.815 122.410 -2.595 26054 699 1 6 . 1 1 21 21 CYS HA H 21 4.649 4.649 4.113 0.536 26054 700 1 6 . 1 1 21 21 CYS H H 21 8.559 8.559 8.640 -0.081 26054 701 1 6 . 1 1 22 22 ARG N N 22 117.375 117.375 120.766 -3.391 26054 702 1 6 . 1 1 22 22 ARG HA H 22 4.344 4.344 4.221 0.123 26054 703 1 6 . 1 1 22 22 ARG H H 22 7.922 7.922 8.234 -0.312 26054 704 1 6 . 1 1 23 23 GLY N N 23 107.052 107.052 110.203 -3.151 26054 705 1 6 . 1 1 23 23 GLY H H 23 8.566 8.566 7.796 0.770 26054 706 1 6 . 1 1 24 24 ARG N N 24 118.904 118.904 120.015 -1.111 26054 707 1 6 . 1 1 24 24 ARG HA H 24 3.917 3.917 4.376 -0.459 26054 708 1 6 . 1 1 24 24 ARG H H 24 7.386 7.386 8.181 -0.795 26054 709 1 6 . 1 1 25 25 GLY N N 25 110.468 110.468 110.952 -0.484 26054 710 1 6 . 1 1 25 25 GLY H H 25 9.232 9.232 7.971 1.261 26054 711 1 6 . 1 1 26 26 CYS N N 26 122.353 122.353 121.540 0.813 26054 712 1 6 . 1 1 26 26 CYS HA H 26 4.879 4.879 4.952 -0.073 26054 713 1 6 . 1 1 26 26 CYS H H 26 8.462 8.462 7.896 0.566 26054 714 1 6 . 1 1 27 27 ILE N N 27 130.221 130.221 125.371 4.850 26054 715 1 6 . 1 1 27 27 ILE HA H 27 4.560 4.560 4.723 -0.163 26054 716 1 6 . 1 1 27 27 ILE H H 27 8.866 8.866 8.144 0.722 26054 717 1 6 . 1 1 28 28 CYS N N 28 127.575 127.575 124.923 2.652 26054 718 1 6 . 1 1 28 28 CYS HA H 28 4.990 4.990 4.893 0.097 26054 719 1 6 . 1 1 28 28 CYS H H 28 8.991 8.991 8.662 0.329 26054 720 1 6 . 1 1 29 29 SER N N 29 116.957 116.957 115.666 1.291 26054 721 1 6 . 1 1 29 29 SER HA H 29 4.604 4.604 4.801 -0.197 26054 722 1 6 . 1 1 29 29 SER H H 29 8.818 8.818 8.414 0.404 26054 723 1 6 . 1 1 30 30 ILE N N 30 120.076 120.076 123.514 -3.438 26054 724 1 6 . 1 1 30 30 ILE HA H 30 4.129 4.129 3.947 0.182 26054 725 1 6 . 1 1 30 30 ILE H H 30 8.649 8.649 8.665 -0.016 26054 726 1 6 . 1 1 31 31 MET N N 31 121.623 121.623 115.385 6.238 26054 727 1 6 . 1 1 31 31 MET HA H 31 4.488 4.488 4.539 -0.051 26054 728 1 6 . 1 1 31 31 MET H H 31 8.074 8.074 7.965 0.109 26054 729 1 6 . 1 1 32 32 GLY N N 32 107.202 107.202 108.680 -1.478 26054 730 1 6 . 1 1 32 32 GLY H H 32 8.233 8.233 8.184 0.049 26054 731 1 6 . 1 1 33 33 THR N N 33 109.666 109.666 112.233 -2.567 26054 732 1 6 . 1 1 33 33 THR HA H 33 4.618 4.618 4.250 0.368 26054 733 1 6 . 1 1 33 33 THR H H 33 7.514 7.514 7.894 -0.380 26054 734 1 6 . 1 1 34 34 ASN N N 34 118.499 118.499 121.931 -3.432 26054 735 1 6 . 1 1 34 34 ASN HA H 34 4.471 4.471 4.827 -0.356 26054 736 1 6 . 1 1 34 34 ASN H H 34 8.750 8.750 8.411 0.339 26054 737 1 6 . 1 1 35 35 CYS N N 35 119.713 119.713 119.896 -0.183 26054 738 1 6 . 1 1 35 35 CYS HA H 35 5.085 5.085 4.630 0.455 26054 739 1 6 . 1 1 35 35 CYS H H 35 8.374 8.374 7.565 0.809 26054 740 1 6 . 1 1 36 36 GLU N N 36 122.063 122.063 124.708 -2.645 26054 741 1 6 . 1 1 36 36 GLU HA H 36 5.088 5.088 4.904 0.184 26054 742 1 6 . 1 1 36 36 GLU H H 36 8.712 8.712 8.793 -0.081 26054 743 1 6 . 1 1 37 37 CYS N N 37 120.788 120.788 122.616 -1.828 26054 744 1 6 . 1 1 37 37 CYS HA H 37 5.218 5.218 4.598 0.620 26054 745 1 6 . 1 1 37 37 CYS H H 37 8.939 8.939 8.926 0.013 26054 746 1 6 . 1 1 38 38 LYS N N 38 127.824 127.824 127.955 -0.131 26054 747 1 6 . 1 1 38 38 LYS HA H 38 5.217 5.217 5.004 0.213 26054 748 1 6 . 1 1 38 38 LYS H H 38 8.089 8.089 7.668 0.421 26054 749 1 6 . 1 1 39 39 PRO HA H 39 4.586 4.586 4.529 0.057 26054 750 1 6 . 1 1 40 40 ARG N N 40 124.448 124.448 117.271 7.177 26054 751 1 6 . 1 1 40 40 ARG HA H 40 3.902 3.902 4.393 -0.491 26054 752 1 6 . 1 1 40 40 ARG H H 40 8.052 8.052 8.333 -0.281 26054 753 1 6 . 1 1 41 41 LEU N N 41 118.966 118.966 121.114 -2.148 26054 754 1 6 . 1 1 41 41 LEU HA H 41 3.826 3.826 4.128 -0.302 26054 755 1 6 . 1 1 41 41 LEU H H 41 8.705 8.705 8.272 0.433 26054 756 1 6 . 1 1 42 42 ILE N N 42 133.826 133.826 114.507 19.319 26054 757 1 6 . 1 1 42 42 ILE HA H 42 4.338 4.338 4.138 0.200 26054 758 1 6 . 1 1 42 42 ILE H H 42 8.224 8.224 7.565 0.659 26054 759 1 6 . 1 1 43 43 MET N N 43 117.955 117.955 122.811 -4.856 26054 760 1 6 . 1 1 43 43 MET HA H 43 4.055 4.055 4.489 -0.434 26054 761 1 6 . 1 1 43 43 MET H H 43 8.223 8.223 8.208 0.015 26054 762 1 6 . 1 1 44 44 GLU N N 44 116.395 116.395 123.380 -6.985 26054 763 1 6 . 1 1 44 44 GLU HA H 44 4.323 4.323 4.131 0.192 26054 764 1 6 . 1 1 44 44 GLU H H 44 8.601 8.601 8.886 -0.285 26054 765 1 6 . 1 1 45 45 GLY N N 45 110.336 110.336 106.991 3.345 26054 766 1 6 . 1 1 45 45 GLY H H 45 8.189 8.189 7.964 0.225 26054 767 1 6 . 1 1 46 46 LEU N N 46 116.745 116.745 121.593 -4.848 26054 768 1 6 . 1 1 46 46 LEU HA H 46 4.362 4.362 4.598 -0.236 26054 769 1 6 . 1 1 46 46 LEU H H 46 7.731 7.731 7.666 0.065 26054 770 1 6 . 1 1 47 47 GLY N N 47 104.013 104.013 109.993 -5.980 26054 771 1 6 . 1 1 47 47 GLY H H 47 7.696 7.696 8.647 -0.951 26054 772 1 6 . 1 1 48 48 LEU N N 48 118.143 118.143 120.858 -2.715 26054 773 1 6 . 1 1 48 48 LEU HA H 48 4.248 4.248 4.439 -0.191 26054 774 1 6 . 1 1 48 48 LEU H H 48 8.123 8.123 7.985 0.138 26054 775 1 7 . 1 1 2 2 LYS N N 2 123.044 123.044 119.713 3.331 26054 776 1 7 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.019 -0.048 26054 777 1 7 . 1 1 2 2 LYS H H 2 8.401 8.401 8.375 0.026 26054 778 1 7 . 1 1 3 3 LYS N N 3 118.874 118.874 119.095 -0.221 26054 779 1 7 . 1 1 3 3 LYS HA H 3 4.332 4.332 4.271 0.061 26054 780 1 7 . 1 1 3 3 LYS H H 3 8.269 8.269 8.399 -0.130 26054 781 1 7 . 1 1 4 4 LYS N N 4 124.043 124.043 118.953 5.090 26054 782 1 7 . 1 1 4 4 LYS HA H 4 4.349 4.349 4.472 -0.123 26054 783 1 7 . 1 1 4 4 LYS H H 4 8.395 8.395 7.498 0.897 26054 784 1 7 . 1 1 5 5 CYS N N 5 115.251 115.251 116.758 -1.507 26054 785 1 7 . 1 1 5 5 CYS HA H 5 5.047 5.047 4.077 0.970 26054 786 1 7 . 1 1 5 5 CYS H H 5 7.921 7.921 8.444 -0.523 26054 787 1 7 . 1 1 6 6 ILE N N 6 120.706 120.706 119.962 0.744 26054 788 1 7 . 1 1 6 6 ILE HA H 6 4.763 4.763 4.334 0.429 26054 789 1 7 . 1 1 6 6 ILE H H 6 9.211 9.211 8.182 1.029 26054 790 1 7 . 1 1 7 7 ALA N N 7 136.854 136.854 121.765 15.089 26054 791 1 7 . 1 1 7 7 ALA HA H 7 3.977 3.977 4.064 -0.087 26054 792 1 7 . 1 1 7 7 ALA H H 7 8.798 8.798 8.042 0.756 26054 793 1 7 . 1 1 8 8 LYS N N 8 118.663 118.663 121.976 -3.313 26054 794 1 7 . 1 1 8 8 LYS HA H 8 4.102 4.102 4.214 -0.112 26054 795 1 7 . 1 1 8 8 LYS H H 8 7.300 7.300 8.058 -0.758 26054 796 1 7 . 1 1 9 9 ASP N N 9 133.072 133.072 119.011 14.061 26054 797 1 7 . 1 1 9 9 ASP HA H 9 3.974 3.974 4.647 -0.673 26054 798 1 7 . 1 1 9 9 ASP H H 9 9.197 9.197 8.184 1.013 26054 799 1 7 . 1 1 10 10 TYR N N 10 120.909 120.909 118.989 1.920 26054 800 1 7 . 1 1 10 10 TYR HA H 10 4.036 4.036 3.962 0.074 26054 801 1 7 . 1 1 10 10 TYR H H 10 8.557 8.557 7.905 0.652 26054 802 1 7 . 1 1 11 11 GLY N N 11 104.832 104.832 106.360 -1.528 26054 803 1 7 . 1 1 11 11 GLY H H 11 7.958 7.958 8.160 -0.202 26054 804 1 7 . 1 1 12 12 ARG N N 12 122.926 122.926 124.011 -1.085 26054 805 1 7 . 1 1 12 12 ARG HA H 12 4.555 4.555 4.708 -0.153 26054 806 1 7 . 1 1 12 12 ARG H H 12 8.266 8.266 8.307 -0.041 26054 807 1 7 . 1 1 13 13 CYS N N 13 119.507 119.507 119.399 0.108 26054 808 1 7 . 1 1 13 13 CYS HA H 13 5.019 5.019 5.071 -0.052 26054 809 1 7 . 1 1 13 13 CYS H H 13 7.692 7.692 8.384 -0.692 26054 810 1 7 . 1 1 14 14 LYS N N 14 119.666 119.666 121.436 -1.770 26054 811 1 7 . 1 1 14 14 LYS HA H 14 4.577 4.577 4.683 -0.106 26054 812 1 7 . 1 1 14 14 LYS H H 14 9.093 9.093 8.482 0.611 26054 813 1 7 . 1 1 15 15 TRP N N 15 129.454 129.454 125.844 3.610 26054 814 1 7 . 1 1 15 15 TRP HA H 15 4.474 4.474 4.348 0.126 26054 815 1 7 . 1 1 15 15 TRP H H 15 9.088 9.088 9.009 0.079 26054 816 1 7 . 1 1 16 16 GLY N N 16 115.369 115.369 104.977 10.392 26054 817 1 7 . 1 1 16 16 GLY H H 16 8.745 8.745 8.019 0.726 26054 818 1 7 . 1 1 17 17 GLY N N 17 108.088 108.088 108.463 -0.375 26054 819 1 7 . 1 1 17 17 GLY H H 17 7.809 7.809 7.968 -0.159 26054 820 1 7 . 1 1 18 18 THR N N 18 121.094 121.094 117.619 3.475 26054 821 1 7 . 1 1 18 18 THR HA H 18 4.330 4.330 4.201 0.129 26054 822 1 7 . 1 1 18 18 THR H H 18 8.187 8.187 8.084 0.103 26054 823 1 7 . 1 1 19 19 PRO HA H 19 4.512 4.512 4.122 0.390 26054 824 1 7 . 1 1 20 20 CYS N N 20 119.243 119.243 115.307 3.936 26054 825 1 7 . 1 1 20 20 CYS HA H 20 4.760 4.760 4.432 0.328 26054 826 1 7 . 1 1 20 20 CYS H H 20 8.910 8.910 8.013 0.897 26054 827 1 7 . 1 1 21 21 CYS N N 21 119.815 119.815 123.921 -4.106 26054 828 1 7 . 1 1 21 21 CYS HA H 21 4.649 4.649 4.129 0.520 26054 829 1 7 . 1 1 21 21 CYS H H 21 8.559 8.559 8.630 -0.071 26054 830 1 7 . 1 1 22 22 ARG N N 22 117.375 117.375 120.016 -2.641 26054 831 1 7 . 1 1 22 22 ARG HA H 22 4.344 4.344 4.126 0.218 26054 832 1 7 . 1 1 22 22 ARG H H 22 7.922 7.922 8.106 -0.184 26054 833 1 7 . 1 1 23 23 GLY N N 23 107.052 107.052 113.067 -6.015 26054 834 1 7 . 1 1 23 23 GLY H H 23 8.566 8.566 8.444 0.122 26054 835 1 7 . 1 1 24 24 ARG N N 24 118.904 118.904 119.663 -0.759 26054 836 1 7 . 1 1 24 24 ARG HA H 24 3.917 3.917 4.134 -0.217 26054 837 1 7 . 1 1 24 24 ARG H H 24 7.386 7.386 8.122 -0.736 26054 838 1 7 . 1 1 25 25 GLY N N 25 110.468 110.468 110.841 -0.373 26054 839 1 7 . 1 1 25 25 GLY H H 25 9.232 9.232 7.996 1.236 26054 840 1 7 . 1 1 26 26 CYS N N 26 122.353 122.353 123.448 -1.095 26054 841 1 7 . 1 1 26 26 CYS HA H 26 4.879 4.879 5.130 -0.251 26054 842 1 7 . 1 1 26 26 CYS H H 26 8.462 8.462 7.967 0.495 26054 843 1 7 . 1 1 27 27 ILE N N 27 130.221 130.221 128.451 1.770 26054 844 1 7 . 1 1 27 27 ILE HA H 27 4.560 4.560 4.661 -0.101 26054 845 1 7 . 1 1 27 27 ILE H H 27 8.866 8.866 8.304 0.562 26054 846 1 7 . 1 1 28 28 CYS N N 28 127.575 127.575 126.078 1.497 26054 847 1 7 . 1 1 28 28 CYS HA H 28 4.990 4.990 5.113 -0.123 26054 848 1 7 . 1 1 28 28 CYS H H 28 8.991 8.991 8.616 0.375 26054 849 1 7 . 1 1 29 29 SER N N 29 116.957 116.957 115.946 1.011 26054 850 1 7 . 1 1 29 29 SER HA H 29 4.604 4.604 4.428 0.176 26054 851 1 7 . 1 1 29 29 SER H H 29 8.818 8.818 8.350 0.468 26054 852 1 7 . 1 1 30 30 ILE N N 30 120.076 120.076 121.916 -1.840 26054 853 1 7 . 1 1 30 30 ILE HA H 30 4.129 4.129 3.844 0.285 26054 854 1 7 . 1 1 30 30 ILE H H 30 8.649 8.649 8.562 0.087 26054 855 1 7 . 1 1 31 31 MET N N 31 121.623 121.623 118.285 3.338 26054 856 1 7 . 1 1 31 31 MET HA H 31 4.488 4.488 4.592 -0.104 26054 857 1 7 . 1 1 31 31 MET H H 31 8.074 8.074 8.157 -0.083 26054 858 1 7 . 1 1 32 32 GLY N N 32 107.202 107.202 107.858 -0.656 26054 859 1 7 . 1 1 32 32 GLY H H 32 8.233 8.233 7.864 0.369 26054 860 1 7 . 1 1 33 33 THR N N 33 109.666 109.666 112.322 -2.656 26054 861 1 7 . 1 1 33 33 THR HA H 33 4.618 4.618 4.482 0.136 26054 862 1 7 . 1 1 33 33 THR H H 33 7.514 7.514 7.878 -0.364 26054 863 1 7 . 1 1 34 34 ASN N N 34 118.499 118.499 121.151 -2.652 26054 864 1 7 . 1 1 34 34 ASN HA H 34 4.471 4.471 4.837 -0.366 26054 865 1 7 . 1 1 34 34 ASN H H 34 8.750 8.750 8.311 0.439 26054 866 1 7 . 1 1 35 35 CYS N N 35 119.713 119.713 120.966 -1.253 26054 867 1 7 . 1 1 35 35 CYS HA H 35 5.085 5.085 4.793 0.292 26054 868 1 7 . 1 1 35 35 CYS H H 35 8.374 8.374 7.859 0.515 26054 869 1 7 . 1 1 36 36 GLU N N 36 122.063 122.063 124.652 -2.589 26054 870 1 7 . 1 1 36 36 GLU HA H 36 5.088 5.088 4.643 0.445 26054 871 1 7 . 1 1 36 36 GLU H H 36 8.712 8.712 8.695 0.017 26054 872 1 7 . 1 1 37 37 CYS N N 37 120.788 120.788 123.708 -2.920 26054 873 1 7 . 1 1 37 37 CYS HA H 37 5.218 5.218 4.602 0.616 26054 874 1 7 . 1 1 37 37 CYS H H 37 8.939 8.939 9.064 -0.125 26054 875 1 7 . 1 1 38 38 LYS N N 38 127.824 127.824 127.031 0.793 26054 876 1 7 . 1 1 38 38 LYS HA H 38 5.217 5.217 5.127 0.090 26054 877 1 7 . 1 1 38 38 LYS H H 38 8.089 8.089 7.846 0.243 26054 878 1 7 . 1 1 39 39 PRO HA H 39 4.586 4.586 4.666 -0.080 26054 879 1 7 . 1 1 40 40 ARG N N 40 124.448 124.448 119.998 4.450 26054 880 1 7 . 1 1 40 40 ARG HA H 40 3.902 3.902 4.491 -0.589 26054 881 1 7 . 1 1 40 40 ARG H H 40 8.052 8.052 8.484 -0.432 26054 882 1 7 . 1 1 41 41 LEU N N 41 118.966 118.966 118.204 0.762 26054 883 1 7 . 1 1 41 41 LEU HA H 41 3.826 3.826 4.706 -0.880 26054 884 1 7 . 1 1 41 41 LEU H H 41 8.705 8.705 8.252 0.453 26054 885 1 7 . 1 1 42 42 ILE N N 42 133.826 133.826 116.886 16.940 26054 886 1 7 . 1 1 42 42 ILE HA H 42 4.338 4.338 3.932 0.406 26054 887 1 7 . 1 1 42 42 ILE H H 42 8.224 8.224 8.033 0.191 26054 888 1 7 . 1 1 43 43 MET N N 43 117.955 117.955 119.532 -1.577 26054 889 1 7 . 1 1 43 43 MET HA H 43 4.055 4.055 4.248 -0.193 26054 890 1 7 . 1 1 43 43 MET H H 43 8.223 8.223 7.625 0.598 26054 891 1 7 . 1 1 44 44 GLU N N 44 116.395 116.395 121.033 -4.638 26054 892 1 7 . 1 1 44 44 GLU HA H 44 4.323 4.323 4.296 0.027 26054 893 1 7 . 1 1 44 44 GLU H H 44 8.601 8.601 8.827 -0.226 26054 894 1 7 . 1 1 45 45 GLY N N 45 110.336 110.336 105.996 4.340 26054 895 1 7 . 1 1 45 45 GLY H H 45 8.189 8.189 8.093 0.096 26054 896 1 7 . 1 1 46 46 LEU N N 46 116.745 116.745 121.822 -5.077 26054 897 1 7 . 1 1 46 46 LEU HA H 46 4.362 4.362 4.844 -0.482 26054 898 1 7 . 1 1 46 46 LEU H H 46 7.731 7.731 7.882 -0.151 26054 899 1 7 . 1 1 47 47 GLY N N 47 104.013 104.013 108.722 -4.709 26054 900 1 7 . 1 1 47 47 GLY H H 47 7.696 7.696 8.813 -1.117 26054 901 1 7 . 1 1 48 48 LEU N N 48 118.143 118.143 120.733 -2.590 26054 902 1 7 . 1 1 48 48 LEU HA H 48 4.248 4.248 4.665 -0.417 26054 903 1 7 . 1 1 48 48 LEU H H 48 8.123 8.123 7.690 0.433 26054 904 1 8 . 1 1 2 2 LYS N N 2 123.044 123.044 121.257 1.787 26054 905 1 8 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.129 -0.158 26054 906 1 8 . 1 1 2 2 LYS H H 2 8.401 8.401 8.073 0.328 26054 907 1 8 . 1 1 3 3 LYS N N 3 118.874 118.874 120.616 -1.742 26054 908 1 8 . 1 1 3 3 LYS HA H 3 4.332 4.332 4.277 0.055 26054 909 1 8 . 1 1 3 3 LYS H H 3 8.269 8.269 8.453 -0.184 26054 910 1 8 . 1 1 4 4 LYS N N 4 124.043 124.043 119.190 4.853 26054 911 1 8 . 1 1 4 4 LYS HA H 4 4.349 4.349 4.598 -0.249 26054 912 1 8 . 1 1 4 4 LYS H H 4 8.395 8.395 7.724 0.671 26054 913 1 8 . 1 1 5 5 CYS N N 5 115.251 115.251 117.043 -1.792 26054 914 1 8 . 1 1 5 5 CYS HA H 5 5.047 5.047 4.142 0.905 26054 915 1 8 . 1 1 5 5 CYS H H 5 7.921 7.921 8.595 -0.674 26054 916 1 8 . 1 1 6 6 ILE N N 6 120.706 120.706 121.092 -0.386 26054 917 1 8 . 1 1 6 6 ILE HA H 6 4.763 4.763 4.380 0.383 26054 918 1 8 . 1 1 6 6 ILE H H 6 9.211 9.211 7.917 1.294 26054 919 1 8 . 1 1 7 7 ALA N N 7 136.854 136.854 122.863 13.991 26054 920 1 8 . 1 1 7 7 ALA HA H 7 3.977 3.977 3.889 0.088 26054 921 1 8 . 1 1 7 7 ALA H H 7 8.798 8.798 7.565 1.233 26054 922 1 8 . 1 1 8 8 LYS N N 8 118.663 118.663 119.426 -0.763 26054 923 1 8 . 1 1 8 8 LYS HA H 8 4.102 4.102 4.068 0.034 26054 924 1 8 . 1 1 8 8 LYS H H 8 7.300 7.300 8.221 -0.921 26054 925 1 8 . 1 1 9 9 ASP N N 9 133.072 133.072 117.634 15.438 26054 926 1 8 . 1 1 9 9 ASP HA H 9 3.974 3.974 4.128 -0.154 26054 927 1 8 . 1 1 9 9 ASP H H 9 9.197 9.197 8.532 0.665 26054 928 1 8 . 1 1 10 10 TYR N N 10 120.909 120.909 120.417 0.492 26054 929 1 8 . 1 1 10 10 TYR HA H 10 4.036 4.036 4.461 -0.425 26054 930 1 8 . 1 1 10 10 TYR H H 10 8.557 8.557 8.272 0.285 26054 931 1 8 . 1 1 11 11 GLY N N 11 104.832 104.832 107.894 -3.062 26054 932 1 8 . 1 1 11 11 GLY H H 11 7.958 7.958 8.143 -0.185 26054 933 1 8 . 1 1 12 12 ARG N N 12 122.926 122.926 120.715 2.211 26054 934 1 8 . 1 1 12 12 ARG HA H 12 4.555 4.555 4.596 -0.041 26054 935 1 8 . 1 1 12 12 ARG H H 12 8.266 8.266 8.409 -0.143 26054 936 1 8 . 1 1 13 13 CYS N N 13 119.507 119.507 121.519 -2.012 26054 937 1 8 . 1 1 13 13 CYS HA H 13 5.019 5.019 4.847 0.172 26054 938 1 8 . 1 1 13 13 CYS H H 13 7.692 7.692 8.185 -0.493 26054 939 1 8 . 1 1 14 14 LYS N N 14 119.666 119.666 122.511 -2.845 26054 940 1 8 . 1 1 14 14 LYS HA H 14 4.577 4.577 4.778 -0.201 26054 941 1 8 . 1 1 14 14 LYS H H 14 9.093 9.093 8.657 0.436 26054 942 1 8 . 1 1 15 15 TRP N N 15 129.454 129.454 128.321 1.133 26054 943 1 8 . 1 1 15 15 TRP HA H 15 4.474 4.474 4.381 0.093 26054 944 1 8 . 1 1 15 15 TRP H H 15 9.088 9.088 9.161 -0.073 26054 945 1 8 . 1 1 16 16 GLY N N 16 115.369 115.369 112.804 2.565 26054 946 1 8 . 1 1 16 16 GLY H H 16 8.745 8.745 8.390 0.355 26054 947 1 8 . 1 1 17 17 GLY N N 17 108.088 108.088 110.792 -2.704 26054 948 1 8 . 1 1 17 17 GLY H H 17 7.809 7.809 8.453 -0.644 26054 949 1 8 . 1 1 18 18 THR N N 18 121.094 121.094 114.696 6.398 26054 950 1 8 . 1 1 18 18 THR HA H 18 4.330 4.330 4.759 -0.429 26054 951 1 8 . 1 1 18 18 THR H H 18 8.187 8.187 7.774 0.413 26054 952 1 8 . 1 1 19 19 PRO HA H 19 4.512 4.512 4.301 0.211 26054 953 1 8 . 1 1 20 20 CYS N N 20 119.243 119.243 118.248 0.995 26054 954 1 8 . 1 1 20 20 CYS HA H 20 4.760 4.760 4.110 0.650 26054 955 1 8 . 1 1 20 20 CYS H H 20 8.910 8.910 8.002 0.908 26054 956 1 8 . 1 1 21 21 CYS N N 21 119.815 119.815 123.481 -3.666 26054 957 1 8 . 1 1 21 21 CYS HA H 21 4.649 4.649 4.027 0.622 26054 958 1 8 . 1 1 21 21 CYS H H 21 8.559 8.559 8.614 -0.055 26054 959 1 8 . 1 1 22 22 ARG N N 22 117.375 117.375 121.978 -4.603 26054 960 1 8 . 1 1 22 22 ARG HA H 22 4.344 4.344 4.242 0.102 26054 961 1 8 . 1 1 22 22 ARG H H 22 7.922 7.922 7.859 0.063 26054 962 1 8 . 1 1 23 23 GLY N N 23 107.052 107.052 112.592 -5.540 26054 963 1 8 . 1 1 23 23 GLY H H 23 8.566 8.566 8.294 0.272 26054 964 1 8 . 1 1 24 24 ARG N N 24 118.904 118.904 119.992 -1.088 26054 965 1 8 . 1 1 24 24 ARG HA H 24 3.917 3.917 4.365 -0.448 26054 966 1 8 . 1 1 24 24 ARG H H 24 7.386 7.386 8.286 -0.900 26054 967 1 8 . 1 1 25 25 GLY N N 25 110.468 110.468 110.492 -0.024 26054 968 1 8 . 1 1 25 25 GLY H H 25 9.232 9.232 7.917 1.315 26054 969 1 8 . 1 1 26 26 CYS N N 26 122.353 122.353 123.099 -0.746 26054 970 1 8 . 1 1 26 26 CYS HA H 26 4.879 4.879 4.975 -0.096 26054 971 1 8 . 1 1 26 26 CYS H H 26 8.462 8.462 7.882 0.580 26054 972 1 8 . 1 1 27 27 ILE N N 27 130.221 130.221 129.229 0.992 26054 973 1 8 . 1 1 27 27 ILE HA H 27 4.560 4.560 4.447 0.113 26054 974 1 8 . 1 1 27 27 ILE H H 27 8.866 8.866 7.963 0.903 26054 975 1 8 . 1 1 28 28 CYS N N 28 127.575 127.575 125.934 1.641 26054 976 1 8 . 1 1 28 28 CYS HA H 28 4.990 4.990 5.069 -0.079 26054 977 1 8 . 1 1 28 28 CYS H H 28 8.991 8.991 8.476 0.515 26054 978 1 8 . 1 1 29 29 SER N N 29 116.957 116.957 115.299 1.658 26054 979 1 8 . 1 1 29 29 SER HA H 29 4.604 4.604 4.467 0.137 26054 980 1 8 . 1 1 29 29 SER H H 29 8.818 8.818 8.418 0.400 26054 981 1 8 . 1 1 30 30 ILE N N 30 120.076 120.076 121.634 -1.558 26054 982 1 8 . 1 1 30 30 ILE HA H 30 4.129 4.129 3.861 0.268 26054 983 1 8 . 1 1 30 30 ILE H H 30 8.649 8.649 8.514 0.136 26054 984 1 8 . 1 1 31 31 MET N N 31 121.623 121.623 118.394 3.229 26054 985 1 8 . 1 1 31 31 MET HA H 31 4.488 4.488 4.614 -0.126 26054 986 1 8 . 1 1 31 31 MET H H 31 8.074 8.074 8.154 -0.080 26054 987 1 8 . 1 1 32 32 GLY N N 32 107.202 107.202 108.396 -1.194 26054 988 1 8 . 1 1 32 32 GLY H H 32 8.233 8.233 8.300 -0.067 26054 989 1 8 . 1 1 33 33 THR N N 33 109.666 109.666 112.580 -2.914 26054 990 1 8 . 1 1 33 33 THR HA H 33 4.618 4.618 4.384 0.234 26054 991 1 8 . 1 1 33 33 THR H H 33 7.514 7.514 7.746 -0.232 26054 992 1 8 . 1 1 34 34 ASN N N 34 118.499 118.499 122.927 -4.428 26054 993 1 8 . 1 1 34 34 ASN HA H 34 4.471 4.471 4.792 -0.321 26054 994 1 8 . 1 1 34 34 ASN H H 34 8.750 8.750 8.544 0.206 26054 995 1 8 . 1 1 35 35 CYS N N 35 119.713 119.713 120.604 -0.891 26054 996 1 8 . 1 1 35 35 CYS HA H 35 5.085 5.085 4.707 0.378 26054 997 1 8 . 1 1 35 35 CYS H H 35 8.374 8.374 8.110 0.264 26054 998 1 8 . 1 1 36 36 GLU N N 36 122.063 122.063 125.385 -3.322 26054 999 1 8 . 1 1 36 36 GLU HA H 36 5.088 5.088 4.790 0.298 26054 1000 1 8 . 1 1 36 36 GLU H H 36 8.712 8.712 8.723 -0.011 26054 1001 1 8 . 1 1 37 37 CYS N N 37 120.788 120.788 125.950 -5.162 26054 1002 1 8 . 1 1 37 37 CYS HA H 37 5.218 5.218 4.393 0.825 26054 1003 1 8 . 1 1 37 37 CYS H H 37 8.939 8.939 9.226 -0.287 26054 1004 1 8 . 1 1 38 38 LYS N N 38 127.824 127.824 128.294 -0.470 26054 1005 1 8 . 1 1 38 38 LYS HA H 38 5.217 5.217 5.023 0.194 26054 1006 1 8 . 1 1 38 38 LYS H H 38 8.089 8.089 7.834 0.255 26054 1007 1 8 . 1 1 39 39 PRO HA H 39 4.586 4.586 4.642 -0.056 26054 1008 1 8 . 1 1 40 40 ARG N N 40 124.448 124.448 118.426 6.022 26054 1009 1 8 . 1 1 40 40 ARG HA H 40 3.902 3.902 4.103 -0.201 26054 1010 1 8 . 1 1 40 40 ARG H H 40 8.052 8.052 8.455 -0.403 26054 1011 1 8 . 1 1 41 41 LEU N N 41 118.966 118.966 120.720 -1.754 26054 1012 1 8 . 1 1 41 41 LEU HA H 41 3.826 3.826 4.255 -0.429 26054 1013 1 8 . 1 1 41 41 LEU H H 41 8.705 8.705 8.481 0.224 26054 1014 1 8 . 1 1 42 42 ILE N N 42 133.826 133.826 119.373 14.453 26054 1015 1 8 . 1 1 42 42 ILE HA H 42 4.338 4.338 3.952 0.386 26054 1016 1 8 . 1 1 42 42 ILE H H 42 8.224 8.224 7.438 0.786 26054 1017 1 8 . 1 1 43 43 MET N N 43 117.955 117.955 126.307 -8.352 26054 1018 1 8 . 1 1 43 43 MET HA H 43 4.055 4.055 4.531 -0.476 26054 1019 1 8 . 1 1 43 43 MET H H 43 8.223 8.223 8.086 0.137 26054 1020 1 8 . 1 1 44 44 GLU N N 44 116.395 116.395 122.309 -5.914 26054 1021 1 8 . 1 1 44 44 GLU HA H 44 4.323 4.323 4.029 0.294 26054 1022 1 8 . 1 1 44 44 GLU H H 44 8.601 8.601 8.877 -0.276 26054 1023 1 8 . 1 1 45 45 GLY N N 45 110.336 110.336 105.314 5.022 26054 1024 1 8 . 1 1 45 45 GLY H H 45 8.189 8.189 7.786 0.403 26054 1025 1 8 . 1 1 46 46 LEU N N 46 116.745 116.745 119.169 -2.424 26054 1026 1 8 . 1 1 46 46 LEU HA H 46 4.362 4.362 4.641 -0.279 26054 1027 1 8 . 1 1 46 46 LEU H H 46 7.731 7.731 7.829 -0.098 26054 1028 1 8 . 1 1 47 47 GLY N N 47 104.013 104.013 105.992 -1.979 26054 1029 1 8 . 1 1 47 47 GLY H H 47 7.696 7.696 8.160 -0.464 26054 1030 1 8 . 1 1 48 48 LEU N N 48 118.143 118.143 120.435 -2.292 26054 1031 1 8 . 1 1 48 48 LEU HA H 48 4.248 4.248 4.837 -0.589 26054 1032 1 8 . 1 1 48 48 LEU H H 48 8.123 8.123 8.191 -0.068 26054 1033 1 9 . 1 1 2 2 LYS N N 2 123.044 123.044 122.525 0.519 26054 1034 1 9 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.336 -0.365 26054 1035 1 9 . 1 1 2 2 LYS H H 2 8.401 8.401 8.180 0.221 26054 1036 1 9 . 1 1 3 3 LYS N N 3 118.874 118.874 122.149 -3.275 26054 1037 1 9 . 1 1 3 3 LYS HA H 3 4.332 4.332 4.425 -0.093 26054 1038 1 9 . 1 1 3 3 LYS H H 3 8.269 8.269 8.408 -0.139 26054 1039 1 9 . 1 1 4 4 LYS N N 4 124.043 124.043 125.582 -1.539 26054 1040 1 9 . 1 1 4 4 LYS HA H 4 4.349 4.349 4.254 0.095 26054 1041 1 9 . 1 1 4 4 LYS H H 4 8.395 8.395 8.404 -0.009 26054 1042 1 9 . 1 1 5 5 CYS N N 5 115.251 115.251 116.009 -0.758 26054 1043 1 9 . 1 1 5 5 CYS HA H 5 5.047 5.047 4.210 0.837 26054 1044 1 9 . 1 1 5 5 CYS H H 5 7.921 7.921 7.963 -0.042 26054 1045 1 9 . 1 1 6 6 ILE N N 6 120.706 120.706 116.932 3.774 26054 1046 1 9 . 1 1 6 6 ILE HA H 6 4.763 4.763 4.994 -0.231 26054 1047 1 9 . 1 1 6 6 ILE H H 6 9.211 9.211 8.568 0.643 26054 1048 1 9 . 1 1 7 7 ALA N N 7 136.854 136.854 122.235 14.619 26054 1049 1 9 . 1 1 7 7 ALA HA H 7 3.977 3.977 4.481 -0.504 26054 1050 1 9 . 1 1 7 7 ALA H H 7 8.798 8.798 8.266 0.532 26054 1051 1 9 . 1 1 8 8 LYS N N 8 118.663 118.663 119.441 -0.778 26054 1052 1 9 . 1 1 8 8 LYS HA H 8 4.102 4.102 4.070 0.032 26054 1053 1 9 . 1 1 8 8 LYS H H 8 7.300 7.300 8.017 -0.717 26054 1054 1 9 . 1 1 9 9 ASP N N 9 133.072 133.072 116.659 16.413 26054 1055 1 9 . 1 1 9 9 ASP HA H 9 3.974 3.974 4.169 -0.195 26054 1056 1 9 . 1 1 9 9 ASP H H 9 9.197 9.197 7.847 1.350 26054 1057 1 9 . 1 1 10 10 TYR N N 10 120.909 120.909 119.725 1.184 26054 1058 1 9 . 1 1 10 10 TYR HA H 10 4.036 4.036 4.026 0.010 26054 1059 1 9 . 1 1 10 10 TYR H H 10 8.557 8.557 7.646 0.911 26054 1060 1 9 . 1 1 11 11 GLY N N 11 104.832 104.832 106.706 -1.874 26054 1061 1 9 . 1 1 11 11 GLY H H 11 7.958 7.958 8.166 -0.208 26054 1062 1 9 . 1 1 12 12 ARG N N 12 122.926 122.926 124.253 -1.327 26054 1063 1 9 . 1 1 12 12 ARG HA H 12 4.555 4.555 4.522 0.033 26054 1064 1 9 . 1 1 12 12 ARG H H 12 8.266 8.266 8.390 -0.124 26054 1065 1 9 . 1 1 13 13 CYS N N 13 119.507 119.507 123.189 -3.682 26054 1066 1 9 . 1 1 13 13 CYS HA H 13 5.019 5.019 4.927 0.092 26054 1067 1 9 . 1 1 13 13 CYS H H 13 7.692 7.692 8.396 -0.704 26054 1068 1 9 . 1 1 14 14 LYS N N 14 119.666 119.666 122.155 -2.489 26054 1069 1 9 . 1 1 14 14 LYS HA H 14 4.577 4.577 4.150 0.427 26054 1070 1 9 . 1 1 14 14 LYS H H 14 9.093 9.093 8.049 1.044 26054 1071 1 9 . 1 1 15 15 TRP N N 15 129.454 129.454 124.159 5.295 26054 1072 1 9 . 1 1 15 15 TRP HA H 15 4.474 4.474 4.428 0.046 26054 1073 1 9 . 1 1 15 15 TRP H H 15 9.088 9.088 8.101 0.987 26054 1074 1 9 . 1 1 16 16 GLY N N 16 115.369 115.369 103.633 11.736 26054 1075 1 9 . 1 1 16 16 GLY H H 16 8.745 8.745 7.686 1.059 26054 1076 1 9 . 1 1 17 17 GLY N N 17 108.088 108.088 109.893 -1.805 26054 1077 1 9 . 1 1 17 17 GLY H H 17 7.809 7.809 8.087 -0.278 26054 1078 1 9 . 1 1 18 18 THR N N 18 121.094 121.094 114.639 6.455 26054 1079 1 9 . 1 1 18 18 THR HA H 18 4.330 4.330 4.554 -0.224 26054 1080 1 9 . 1 1 18 18 THR H H 18 8.187 8.187 7.901 0.286 26054 1081 1 9 . 1 1 19 19 PRO HA H 19 4.512 4.512 4.416 0.096 26054 1082 1 9 . 1 1 20 20 CYS N N 20 119.243 119.243 113.830 5.413 26054 1083 1 9 . 1 1 20 20 CYS HA H 20 4.760 4.760 4.139 0.621 26054 1084 1 9 . 1 1 20 20 CYS H H 20 8.910 8.910 8.254 0.656 26054 1085 1 9 . 1 1 21 21 CYS N N 21 119.815 119.815 118.717 1.098 26054 1086 1 9 . 1 1 21 21 CYS HA H 21 4.649 4.649 4.010 0.639 26054 1087 1 9 . 1 1 21 21 CYS H H 21 8.559 8.559 8.373 0.186 26054 1088 1 9 . 1 1 22 22 ARG N N 22 117.375 117.375 122.590 -5.215 26054 1089 1 9 . 1 1 22 22 ARG HA H 22 4.344 4.344 4.238 0.106 26054 1090 1 9 . 1 1 22 22 ARG H H 22 7.922 7.922 7.960 -0.038 26054 1091 1 9 . 1 1 23 23 GLY N N 23 107.052 107.052 112.130 -5.078 26054 1092 1 9 . 1 1 23 23 GLY H H 23 8.566 8.566 8.488 0.078 26054 1093 1 9 . 1 1 24 24 ARG N N 24 118.904 118.904 119.793 -0.889 26054 1094 1 9 . 1 1 24 24 ARG HA H 24 3.917 3.917 4.255 -0.338 26054 1095 1 9 . 1 1 24 24 ARG H H 24 7.386 7.386 8.355 -0.969 26054 1096 1 9 . 1 1 25 25 GLY N N 25 110.468 110.468 110.338 0.130 26054 1097 1 9 . 1 1 25 25 GLY H H 25 9.232 9.232 8.110 1.122 26054 1098 1 9 . 1 1 26 26 CYS N N 26 122.353 122.353 121.452 0.901 26054 1099 1 9 . 1 1 26 26 CYS HA H 26 4.879 4.879 4.630 0.249 26054 1100 1 9 . 1 1 26 26 CYS H H 26 8.462 8.462 8.161 0.301 26054 1101 1 9 . 1 1 27 27 ILE N N 27 130.221 130.221 122.758 7.463 26054 1102 1 9 . 1 1 27 27 ILE HA H 27 4.560 4.560 4.818 -0.258 26054 1103 1 9 . 1 1 27 27 ILE H H 27 8.866 8.866 8.469 0.397 26054 1104 1 9 . 1 1 28 28 CYS N N 28 127.575 127.575 123.791 3.784 26054 1105 1 9 . 1 1 28 28 CYS HA H 28 4.990 4.990 5.125 -0.135 26054 1106 1 9 . 1 1 28 28 CYS H H 28 8.991 8.991 8.680 0.311 26054 1107 1 9 . 1 1 29 29 SER N N 29 116.957 116.957 115.316 1.641 26054 1108 1 9 . 1 1 29 29 SER HA H 29 4.604 4.604 4.518 0.086 26054 1109 1 9 . 1 1 29 29 SER H H 29 8.818 8.818 8.418 0.400 26054 1110 1 9 . 1 1 30 30 ILE N N 30 120.076 120.076 121.534 -1.458 26054 1111 1 9 . 1 1 30 30 ILE HA H 30 4.129 4.129 3.912 0.217 26054 1112 1 9 . 1 1 30 30 ILE H H 30 8.649 8.649 8.473 0.176 26054 1113 1 9 . 1 1 31 31 MET N N 31 121.623 121.623 117.656 3.967 26054 1114 1 9 . 1 1 31 31 MET HA H 31 4.488 4.488 4.501 -0.013 26054 1115 1 9 . 1 1 31 31 MET H H 31 8.074 8.074 8.142 -0.068 26054 1116 1 9 . 1 1 32 32 GLY N N 32 107.202 107.202 107.928 -0.726 26054 1117 1 9 . 1 1 32 32 GLY H H 32 8.233 8.233 7.714 0.519 26054 1118 1 9 . 1 1 33 33 THR N N 33 109.666 109.666 111.564 -1.898 26054 1119 1 9 . 1 1 33 33 THR HA H 33 4.618 4.618 4.369 0.249 26054 1120 1 9 . 1 1 33 33 THR H H 33 7.514 7.514 7.841 -0.327 26054 1121 1 9 . 1 1 34 34 ASN N N 34 118.499 118.499 122.777 -4.278 26054 1122 1 9 . 1 1 34 34 ASN HA H 34 4.471 4.471 4.705 -0.234 26054 1123 1 9 . 1 1 34 34 ASN H H 34 8.750 8.750 8.455 0.295 26054 1124 1 9 . 1 1 35 35 CYS N N 35 119.713 119.713 121.245 -1.532 26054 1125 1 9 . 1 1 35 35 CYS HA H 35 5.085 5.085 4.566 0.519 26054 1126 1 9 . 1 1 35 35 CYS H H 35 8.374 8.374 7.989 0.385 26054 1127 1 9 . 1 1 36 36 GLU N N 36 122.063 122.063 125.061 -2.998 26054 1128 1 9 . 1 1 36 36 GLU HA H 36 5.088 5.088 5.080 0.008 26054 1129 1 9 . 1 1 36 36 GLU H H 36 8.712 8.712 8.724 -0.012 26054 1130 1 9 . 1 1 37 37 CYS N N 37 120.788 120.788 121.125 -0.337 26054 1131 1 9 . 1 1 37 37 CYS HA H 37 5.218 5.218 4.763 0.455 26054 1132 1 9 . 1 1 37 37 CYS H H 37 8.939 8.939 9.067 -0.128 26054 1133 1 9 . 1 1 38 38 LYS N N 38 127.824 127.824 126.021 1.803 26054 1134 1 9 . 1 1 38 38 LYS HA H 38 5.217 5.217 4.792 0.425 26054 1135 1 9 . 1 1 38 38 LYS H H 38 8.089 8.089 8.061 0.028 26054 1136 1 9 . 1 1 39 39 PRO HA H 39 4.586 4.586 4.490 0.096 26054 1137 1 9 . 1 1 40 40 ARG N N 40 124.448 124.448 118.802 5.646 26054 1138 1 9 . 1 1 40 40 ARG HA H 40 3.902 3.902 4.115 -0.213 26054 1139 1 9 . 1 1 40 40 ARG H H 40 8.052 8.052 8.406 -0.354 26054 1140 1 9 . 1 1 41 41 LEU N N 41 118.966 118.966 121.280 -2.314 26054 1141 1 9 . 1 1 41 41 LEU HA H 41 3.826 3.826 4.742 -0.916 26054 1142 1 9 . 1 1 41 41 LEU H H 41 8.705 8.705 8.017 0.688 26054 1143 1 9 . 1 1 42 42 ILE N N 42 133.826 133.826 123.222 10.604 26054 1144 1 9 . 1 1 42 42 ILE HA H 42 4.338 4.338 3.973 0.365 26054 1145 1 9 . 1 1 42 42 ILE H H 42 8.224 8.224 8.257 -0.033 26054 1146 1 9 . 1 1 43 43 MET N N 43 117.955 117.955 125.439 -7.484 26054 1147 1 9 . 1 1 43 43 MET HA H 43 4.055 4.055 4.620 -0.565 26054 1148 1 9 . 1 1 43 43 MET H H 43 8.223 8.223 8.214 0.009 26054 1149 1 9 . 1 1 44 44 GLU N N 44 116.395 116.395 123.385 -6.990 26054 1150 1 9 . 1 1 44 44 GLU HA H 44 4.323 4.323 4.407 -0.084 26054 1151 1 9 . 1 1 44 44 GLU H H 44 8.601 8.601 9.084 -0.483 26054 1152 1 9 . 1 1 45 45 GLY N N 45 110.336 110.336 106.887 3.449 26054 1153 1 9 . 1 1 45 45 GLY H H 45 8.189 8.189 8.118 0.071 26054 1154 1 9 . 1 1 46 46 LEU N N 46 116.745 116.745 120.888 -4.143 26054 1155 1 9 . 1 1 46 46 LEU HA H 46 4.362 4.362 4.712 -0.350 26054 1156 1 9 . 1 1 46 46 LEU H H 46 7.731 7.731 8.218 -0.487 26054 1157 1 9 . 1 1 47 47 GLY N N 47 104.013 104.013 109.071 -5.058 26054 1158 1 9 . 1 1 47 47 GLY H H 47 7.696 7.696 8.187 -0.491 26054 1159 1 9 . 1 1 48 48 LEU N N 48 118.143 118.143 119.162 -1.019 26054 1160 1 9 . 1 1 48 48 LEU HA H 48 4.248 4.248 4.876 -0.628 26054 1161 1 9 . 1 1 48 48 LEU H H 48 8.123 8.123 8.195 -0.072 26054 1162 1 10 . 1 1 2 2 LYS N N 2 123.044 123.044 121.735 1.309 26054 1163 1 10 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.490 -0.519 26054 1164 1 10 . 1 1 2 2 LYS H H 2 8.401 8.401 7.911 0.490 26054 1165 1 10 . 1 1 3 3 LYS N N 3 118.874 118.874 121.259 -2.385 26054 1166 1 10 . 1 1 3 3 LYS HA H 3 4.332 4.332 4.208 0.124 26054 1167 1 10 . 1 1 3 3 LYS H H 3 8.269 8.269 8.325 -0.056 26054 1168 1 10 . 1 1 4 4 LYS N N 4 124.043 124.043 122.324 1.719 26054 1169 1 10 . 1 1 4 4 LYS HA H 4 4.349 4.349 4.122 0.227 26054 1170 1 10 . 1 1 4 4 LYS H H 4 8.395 8.395 8.483 -0.088 26054 1171 1 10 . 1 1 5 5 CYS N N 5 115.251 115.251 113.949 1.302 26054 1172 1 10 . 1 1 5 5 CYS HA H 5 5.047 5.047 4.071 0.976 26054 1173 1 10 . 1 1 5 5 CYS H H 5 7.921 7.921 8.077 -0.156 26054 1174 1 10 . 1 1 6 6 ILE N N 6 120.706 120.706 116.235 4.471 26054 1175 1 10 . 1 1 6 6 ILE HA H 6 4.763 4.763 4.421 0.342 26054 1176 1 10 . 1 1 6 6 ILE H H 6 9.211 9.211 7.659 1.552 26054 1177 1 10 . 1 1 7 7 ALA N N 7 136.854 136.854 122.181 14.673 26054 1178 1 10 . 1 1 7 7 ALA HA H 7 3.977 3.977 3.801 0.176 26054 1179 1 10 . 1 1 7 7 ALA H H 7 8.798 8.798 8.608 0.190 26054 1180 1 10 . 1 1 8 8 LYS N N 8 118.663 118.663 120.862 -2.199 26054 1181 1 10 . 1 1 8 8 LYS HA H 8 4.102 4.102 4.121 -0.019 26054 1182 1 10 . 1 1 8 8 LYS H H 8 7.300 7.300 8.009 -0.709 26054 1183 1 10 . 1 1 9 9 ASP N N 9 133.072 133.072 116.748 16.324 26054 1184 1 10 . 1 1 9 9 ASP HA H 9 3.974 3.974 4.563 -0.589 26054 1185 1 10 . 1 1 9 9 ASP H H 9 9.197 9.197 8.022 1.175 26054 1186 1 10 . 1 1 10 10 TYR N N 10 120.909 120.909 119.091 1.818 26054 1187 1 10 . 1 1 10 10 TYR HA H 10 4.036 4.036 4.046 -0.010 26054 1188 1 10 . 1 1 10 10 TYR H H 10 8.557 8.557 8.142 0.415 26054 1189 1 10 . 1 1 11 11 GLY N N 11 104.832 104.832 107.799 -2.967 26054 1190 1 10 . 1 1 11 11 GLY H H 11 7.958 7.958 8.150 -0.192 26054 1191 1 10 . 1 1 12 12 ARG N N 12 122.926 122.926 123.516 -0.590 26054 1192 1 10 . 1 1 12 12 ARG HA H 12 4.555 4.555 4.729 -0.174 26054 1193 1 10 . 1 1 12 12 ARG H H 12 8.266 8.266 8.387 -0.121 26054 1194 1 10 . 1 1 13 13 CYS N N 13 119.507 119.507 124.099 -4.592 26054 1195 1 10 . 1 1 13 13 CYS HA H 13 5.019 5.019 5.351 -0.332 26054 1196 1 10 . 1 1 13 13 CYS H H 13 7.692 7.692 8.369 -0.677 26054 1197 1 10 . 1 1 14 14 LYS N N 14 119.666 119.666 119.588 0.078 26054 1198 1 10 . 1 1 14 14 LYS HA H 14 4.577 4.577 4.651 -0.074 26054 1199 1 10 . 1 1 14 14 LYS H H 14 9.093 9.093 8.232 0.861 26054 1200 1 10 . 1 1 15 15 TRP N N 15 129.454 129.454 125.735 3.719 26054 1201 1 10 . 1 1 15 15 TRP HA H 15 4.474 4.474 4.425 0.049 26054 1202 1 10 . 1 1 15 15 TRP H H 15 9.088 9.088 9.083 0.005 26054 1203 1 10 . 1 1 16 16 GLY N N 16 115.369 115.369 103.968 11.401 26054 1204 1 10 . 1 1 16 16 GLY H H 16 8.745 8.745 7.798 0.947 26054 1205 1 10 . 1 1 17 17 GLY N N 17 108.088 108.088 109.119 -1.031 26054 1206 1 10 . 1 1 17 17 GLY H H 17 7.809 7.809 7.862 -0.053 26054 1207 1 10 . 1 1 18 18 THR N N 18 121.094 121.094 115.914 5.180 26054 1208 1 10 . 1 1 18 18 THR HA H 18 4.330 4.330 4.192 0.138 26054 1209 1 10 . 1 1 18 18 THR H H 18 8.187 8.187 8.166 0.021 26054 1210 1 10 . 1 1 19 19 PRO HA H 19 4.512 4.512 4.316 0.196 26054 1211 1 10 . 1 1 20 20 CYS N N 20 119.243 119.243 117.344 1.899 26054 1212 1 10 . 1 1 20 20 CYS HA H 20 4.760 4.760 4.514 0.246 26054 1213 1 10 . 1 1 20 20 CYS H H 20 8.910 8.910 8.111 0.799 26054 1214 1 10 . 1 1 21 21 CYS N N 21 119.815 119.815 123.434 -3.619 26054 1215 1 10 . 1 1 21 21 CYS HA H 21 4.649 4.649 4.103 0.546 26054 1216 1 10 . 1 1 21 21 CYS H H 21 8.559 8.559 8.565 -0.006 26054 1217 1 10 . 1 1 22 22 ARG N N 22 117.375 117.375 122.169 -4.794 26054 1218 1 10 . 1 1 22 22 ARG HA H 22 4.344 4.344 4.036 0.308 26054 1219 1 10 . 1 1 22 22 ARG H H 22 7.922 7.922 8.024 -0.102 26054 1220 1 10 . 1 1 23 23 GLY N N 23 107.052 107.052 111.540 -4.488 26054 1221 1 10 . 1 1 23 23 GLY H H 23 8.566 8.566 8.352 0.214 26054 1222 1 10 . 1 1 24 24 ARG N N 24 118.904 118.904 119.800 -0.896 26054 1223 1 10 . 1 1 24 24 ARG HA H 24 3.917 3.917 4.211 -0.294 26054 1224 1 10 . 1 1 24 24 ARG H H 24 7.386 7.386 8.183 -0.797 26054 1225 1 10 . 1 1 25 25 GLY N N 25 110.468 110.468 110.572 -0.104 26054 1226 1 10 . 1 1 25 25 GLY H H 25 9.232 9.232 7.907 1.325 26054 1227 1 10 . 1 1 26 26 CYS N N 26 122.353 122.353 124.089 -1.736 26054 1228 1 10 . 1 1 26 26 CYS HA H 26 4.879 4.879 4.612 0.267 26054 1229 1 10 . 1 1 26 26 CYS H H 26 8.462 8.462 8.385 0.077 26054 1230 1 10 . 1 1 27 27 ILE N N 27 130.221 130.221 125.362 4.859 26054 1231 1 10 . 1 1 27 27 ILE HA H 27 4.560 4.560 4.385 0.175 26054 1232 1 10 . 1 1 27 27 ILE H H 27 8.866 8.866 8.064 0.802 26054 1233 1 10 . 1 1 28 28 CYS N N 28 127.575 127.575 126.420 1.155 26054 1234 1 10 . 1 1 28 28 CYS HA H 28 4.990 4.990 4.993 -0.003 26054 1235 1 10 . 1 1 28 28 CYS H H 28 8.991 8.991 8.555 0.436 26054 1236 1 10 . 1 1 29 29 SER N N 29 116.957 116.957 115.733 1.224 26054 1237 1 10 . 1 1 29 29 SER HA H 29 4.604 4.604 4.667 -0.063 26054 1238 1 10 . 1 1 29 29 SER H H 29 8.818 8.818 8.421 0.397 26054 1239 1 10 . 1 1 30 30 ILE N N 30 120.076 120.076 122.418 -2.342 26054 1240 1 10 . 1 1 30 30 ILE HA H 30 4.129 4.129 3.901 0.228 26054 1241 1 10 . 1 1 30 30 ILE H H 30 8.649 8.649 8.528 0.121 26054 1242 1 10 . 1 1 31 31 MET N N 31 121.623 121.623 117.912 3.711 26054 1243 1 10 . 1 1 31 31 MET HA H 31 4.488 4.488 4.666 -0.178 26054 1244 1 10 . 1 1 31 31 MET H H 31 8.074 8.074 8.183 -0.109 26054 1245 1 10 . 1 1 32 32 GLY N N 32 107.202 107.202 108.111 -0.909 26054 1246 1 10 . 1 1 32 32 GLY H H 32 8.233 8.233 8.156 0.077 26054 1247 1 10 . 1 1 33 33 THR N N 33 109.666 109.666 112.985 -3.319 26054 1248 1 10 . 1 1 33 33 THR HA H 33 4.618 4.618 4.414 0.204 26054 1249 1 10 . 1 1 33 33 THR H H 33 7.514 7.514 8.085 -0.571 26054 1250 1 10 . 1 1 34 34 ASN N N 34 118.499 118.499 122.236 -3.737 26054 1251 1 10 . 1 1 34 34 ASN HA H 34 4.471 4.471 4.770 -0.299 26054 1252 1 10 . 1 1 34 34 ASN H H 34 8.750 8.750 8.542 0.208 26054 1253 1 10 . 1 1 35 35 CYS N N 35 119.713 119.713 121.136 -1.423 26054 1254 1 10 . 1 1 35 35 CYS HA H 35 5.085 5.085 4.727 0.358 26054 1255 1 10 . 1 1 35 35 CYS H H 35 8.374 8.374 7.754 0.620 26054 1256 1 10 . 1 1 36 36 GLU N N 36 122.063 122.063 125.987 -3.924 26054 1257 1 10 . 1 1 36 36 GLU HA H 36 5.088 5.088 5.139 -0.051 26054 1258 1 10 . 1 1 36 36 GLU H H 36 8.712 8.712 8.981 -0.269 26054 1259 1 10 . 1 1 37 37 CYS N N 37 120.788 120.788 122.098 -1.310 26054 1260 1 10 . 1 1 37 37 CYS HA H 37 5.218 5.218 4.758 0.460 26054 1261 1 10 . 1 1 37 37 CYS H H 37 8.939 8.939 8.970 -0.031 26054 1262 1 10 . 1 1 38 38 LYS N N 38 127.824 127.824 123.270 4.554 26054 1263 1 10 . 1 1 38 38 LYS HA H 38 5.217 5.217 4.903 0.314 26054 1264 1 10 . 1 1 38 38 LYS H H 38 8.089 8.089 7.776 0.313 26054 1265 1 10 . 1 1 39 39 PRO HA H 39 4.586 4.586 4.525 0.061 26054 1266 1 10 . 1 1 40 40 ARG N N 40 124.448 124.448 116.975 7.473 26054 1267 1 10 . 1 1 40 40 ARG HA H 40 3.902 3.902 4.528 -0.626 26054 1268 1 10 . 1 1 40 40 ARG H H 40 8.052 8.052 8.242 -0.190 26054 1269 1 10 . 1 1 41 41 LEU N N 41 118.966 118.966 126.974 -8.008 26054 1270 1 10 . 1 1 41 41 LEU HA H 41 3.826 3.826 4.827 -1.001 26054 1271 1 10 . 1 1 41 41 LEU H H 41 8.705 8.705 8.549 0.156 26054 1272 1 10 . 1 1 42 42 ILE N N 42 133.826 133.826 122.221 11.605 26054 1273 1 10 . 1 1 42 42 ILE HA H 42 4.338 4.338 4.582 -0.244 26054 1274 1 10 . 1 1 42 42 ILE H H 42 8.224 8.224 8.270 -0.046 26054 1275 1 10 . 1 1 43 43 MET N N 43 117.955 117.955 119.807 -1.852 26054 1276 1 10 . 1 1 43 43 MET HA H 43 4.055 4.055 4.762 -0.707 26054 1277 1 10 . 1 1 43 43 MET H H 43 8.223 8.223 8.142 0.081 26054 1278 1 10 . 1 1 44 44 GLU N N 44 116.395 116.395 121.546 -5.151 26054 1279 1 10 . 1 1 44 44 GLU HA H 44 4.323 4.323 4.202 0.121 26054 1280 1 10 . 1 1 44 44 GLU H H 44 8.601 8.601 8.875 -0.274 26054 1281 1 10 . 1 1 45 45 GLY N N 45 110.336 110.336 106.166 4.170 26054 1282 1 10 . 1 1 45 45 GLY H H 45 8.189 8.189 8.066 0.123 26054 1283 1 10 . 1 1 46 46 LEU N N 46 116.745 116.745 121.776 -5.031 26054 1284 1 10 . 1 1 46 46 LEU HA H 46 4.362 4.362 4.591 -0.229 26054 1285 1 10 . 1 1 46 46 LEU H H 46 7.731 7.731 8.357 -0.626 26054 1286 1 10 . 1 1 47 47 GLY N N 47 104.013 104.013 103.304 0.709 26054 1287 1 10 . 1 1 47 47 GLY H H 47 7.696 7.696 8.439 -0.743 26054 1288 1 10 . 1 1 48 48 LEU N N 48 118.143 118.143 118.819 -0.676 26054 1289 1 10 . 1 1 48 48 LEU HA H 48 4.248 4.248 4.960 -0.712 26054 1290 1 10 . 1 1 48 48 LEU H H 48 8.123 8.123 8.118 0.005 26054 1291 1 11 . 1 1 2 2 LYS N N 2 123.044 123.044 119.983 3.061 26054 1292 1 11 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.037 -0.066 26054 1293 1 11 . 1 1 2 2 LYS H H 2 8.401 8.401 8.173 0.228 26054 1294 1 11 . 1 1 3 3 LYS N N 3 118.874 118.874 117.213 1.661 26054 1295 1 11 . 1 1 3 3 LYS HA H 3 4.332 4.332 4.280 0.052 26054 1296 1 11 . 1 1 3 3 LYS H H 3 8.269 8.269 8.241 0.028 26054 1297 1 11 . 1 1 4 4 LYS N N 4 124.043 124.043 119.819 4.224 26054 1298 1 11 . 1 1 4 4 LYS HA H 4 4.349 4.349 4.318 0.031 26054 1299 1 11 . 1 1 4 4 LYS H H 4 8.395 8.395 7.777 0.618 26054 1300 1 11 . 1 1 5 5 CYS N N 5 115.251 115.251 116.080 -0.829 26054 1301 1 11 . 1 1 5 5 CYS HA H 5 5.047 5.047 4.339 0.708 26054 1302 1 11 . 1 1 5 5 CYS H H 5 7.921 7.921 7.440 0.481 26054 1303 1 11 . 1 1 6 6 ILE N N 6 120.706 120.706 118.859 1.847 26054 1304 1 11 . 1 1 6 6 ILE HA H 6 4.763 4.763 3.940 0.823 26054 1305 1 11 . 1 1 6 6 ILE H H 6 9.211 9.211 7.853 1.358 26054 1306 1 11 . 1 1 7 7 ALA N N 7 136.854 136.854 124.518 12.336 26054 1307 1 11 . 1 1 7 7 ALA HA H 7 3.977 3.977 3.945 0.032 26054 1308 1 11 . 1 1 7 7 ALA H H 7 8.798 8.798 8.532 0.266 26054 1309 1 11 . 1 1 8 8 LYS N N 8 118.663 118.663 114.839 3.824 26054 1310 1 11 . 1 1 8 8 LYS HA H 8 4.102 4.102 4.300 -0.198 26054 1311 1 11 . 1 1 8 8 LYS H H 8 7.300 7.300 8.124 -0.824 26054 1312 1 11 . 1 1 9 9 ASP N N 9 133.072 133.072 118.832 14.240 26054 1313 1 11 . 1 1 9 9 ASP HA H 9 3.974 3.974 4.468 -0.494 26054 1314 1 11 . 1 1 9 9 ASP H H 9 9.197 9.197 8.099 1.098 26054 1315 1 11 . 1 1 10 10 TYR N N 10 120.909 120.909 118.757 2.152 26054 1316 1 11 . 1 1 10 10 TYR HA H 10 4.036 4.036 4.507 -0.471 26054 1317 1 11 . 1 1 10 10 TYR H H 10 8.557 8.557 8.143 0.414 26054 1318 1 11 . 1 1 11 11 GLY N N 11 104.832 104.832 108.033 -3.201 26054 1319 1 11 . 1 1 11 11 GLY H H 11 7.958 7.958 8.209 -0.251 26054 1320 1 11 . 1 1 12 12 ARG N N 12 122.926 122.926 121.901 1.025 26054 1321 1 11 . 1 1 12 12 ARG HA H 12 4.555 4.555 4.659 -0.104 26054 1322 1 11 . 1 1 12 12 ARG H H 12 8.266 8.266 8.303 -0.037 26054 1323 1 11 . 1 1 13 13 CYS N N 13 119.507 119.507 120.068 -0.561 26054 1324 1 11 . 1 1 13 13 CYS HA H 13 5.019 5.019 4.710 0.309 26054 1325 1 11 . 1 1 13 13 CYS H H 13 7.692 7.692 8.093 -0.401 26054 1326 1 11 . 1 1 14 14 LYS N N 14 119.666 119.666 121.537 -1.871 26054 1327 1 11 . 1 1 14 14 LYS HA H 14 4.577 4.577 4.669 -0.092 26054 1328 1 11 . 1 1 14 14 LYS H H 14 9.093 9.093 8.555 0.538 26054 1329 1 11 . 1 1 15 15 TRP N N 15 129.454 129.454 126.187 3.267 26054 1330 1 11 . 1 1 15 15 TRP HA H 15 4.474 4.474 4.362 0.112 26054 1331 1 11 . 1 1 15 15 TRP H H 15 9.088 9.088 8.503 0.585 26054 1332 1 11 . 1 1 16 16 GLY N N 16 115.369 115.369 104.419 10.950 26054 1333 1 11 . 1 1 16 16 GLY H H 16 8.745 8.745 8.585 0.160 26054 1334 1 11 . 1 1 17 17 GLY N N 17 108.088 108.088 109.003 -0.915 26054 1335 1 11 . 1 1 17 17 GLY H H 17 7.809 7.809 7.878 -0.069 26054 1336 1 11 . 1 1 18 18 THR N N 18 121.094 121.094 114.114 6.980 26054 1337 1 11 . 1 1 18 18 THR HA H 18 4.330 4.330 4.565 -0.235 26054 1338 1 11 . 1 1 18 18 THR H H 18 8.187 8.187 8.063 0.124 26054 1339 1 11 . 1 1 19 19 PRO HA H 19 4.512 4.512 4.464 0.048 26054 1340 1 11 . 1 1 20 20 CYS N N 20 119.243 119.243 117.435 1.808 26054 1341 1 11 . 1 1 20 20 CYS HA H 20 4.760 4.760 4.623 0.137 26054 1342 1 11 . 1 1 20 20 CYS H H 20 8.910 8.910 8.428 0.482 26054 1343 1 11 . 1 1 21 21 CYS N N 21 119.815 119.815 124.627 -4.812 26054 1344 1 11 . 1 1 21 21 CYS HA H 21 4.649 4.649 4.170 0.479 26054 1345 1 11 . 1 1 21 21 CYS H H 21 8.559 8.559 8.681 -0.122 26054 1346 1 11 . 1 1 22 22 ARG N N 22 117.375 117.375 119.589 -2.214 26054 1347 1 11 . 1 1 22 22 ARG HA H 22 4.344 4.344 4.287 0.057 26054 1348 1 11 . 1 1 22 22 ARG H H 22 7.922 7.922 8.222 -0.300 26054 1349 1 11 . 1 1 23 23 GLY N N 23 107.052 107.052 105.007 2.045 26054 1350 1 11 . 1 1 23 23 GLY H H 23 8.566 8.566 6.959 1.607 26054 1351 1 11 . 1 1 24 24 ARG N N 24 118.904 118.904 117.742 1.162 26054 1352 1 11 . 1 1 24 24 ARG HA H 24 3.917 3.917 4.542 -0.625 26054 1353 1 11 . 1 1 24 24 ARG H H 24 7.386 7.386 8.247 -0.861 26054 1354 1 11 . 1 1 25 25 GLY N N 25 110.468 110.468 112.056 -1.588 26054 1355 1 11 . 1 1 25 25 GLY H H 25 9.232 9.232 8.247 0.985 26054 1356 1 11 . 1 1 26 26 CYS N N 26 122.353 122.353 122.311 0.042 26054 1357 1 11 . 1 1 26 26 CYS HA H 26 4.879 4.879 5.016 -0.137 26054 1358 1 11 . 1 1 26 26 CYS H H 26 8.462 8.462 8.108 0.354 26054 1359 1 11 . 1 1 27 27 ILE N N 27 130.221 130.221 125.275 4.946 26054 1360 1 11 . 1 1 27 27 ILE HA H 27 4.560 4.560 4.584 -0.024 26054 1361 1 11 . 1 1 27 27 ILE H H 27 8.866 8.866 8.354 0.512 26054 1362 1 11 . 1 1 28 28 CYS N N 28 127.575 127.575 123.693 3.882 26054 1363 1 11 . 1 1 28 28 CYS HA H 28 4.990 4.990 5.108 -0.118 26054 1364 1 11 . 1 1 28 28 CYS H H 28 8.991 8.991 8.245 0.746 26054 1365 1 11 . 1 1 29 29 SER N N 29 116.957 116.957 115.577 1.380 26054 1366 1 11 . 1 1 29 29 SER HA H 29 4.604 4.604 4.449 0.155 26054 1367 1 11 . 1 1 29 29 SER H H 29 8.818 8.818 8.140 0.678 26054 1368 1 11 . 1 1 30 30 ILE N N 30 120.076 120.076 121.131 -1.055 26054 1369 1 11 . 1 1 30 30 ILE HA H 30 4.129 4.129 3.822 0.307 26054 1370 1 11 . 1 1 30 30 ILE H H 30 8.649 8.649 8.538 0.111 26054 1371 1 11 . 1 1 31 31 MET N N 31 121.623 121.623 117.061 4.562 26054 1372 1 11 . 1 1 31 31 MET HA H 31 4.488 4.488 4.463 0.025 26054 1373 1 11 . 1 1 31 31 MET H H 31 8.074 8.074 8.200 -0.126 26054 1374 1 11 . 1 1 32 32 GLY N N 32 107.202 107.202 107.823 -0.621 26054 1375 1 11 . 1 1 32 32 GLY H H 32 8.233 8.233 7.738 0.495 26054 1376 1 11 . 1 1 33 33 THR N N 33 109.666 109.666 112.723 -3.057 26054 1377 1 11 . 1 1 33 33 THR HA H 33 4.618 4.618 4.338 0.280 26054 1378 1 11 . 1 1 33 33 THR H H 33 7.514 7.514 7.900 -0.386 26054 1379 1 11 . 1 1 34 34 ASN N N 34 118.499 118.499 122.452 -3.953 26054 1380 1 11 . 1 1 34 34 ASN HA H 34 4.471 4.471 4.843 -0.372 26054 1381 1 11 . 1 1 34 34 ASN H H 34 8.750 8.750 8.317 0.433 26054 1382 1 11 . 1 1 35 35 CYS N N 35 119.713 119.713 120.470 -0.757 26054 1383 1 11 . 1 1 35 35 CYS HA H 35 5.085 5.085 4.637 0.448 26054 1384 1 11 . 1 1 35 35 CYS H H 35 8.374 8.374 7.810 0.564 26054 1385 1 11 . 1 1 36 36 GLU N N 36 122.063 122.063 125.441 -3.378 26054 1386 1 11 . 1 1 36 36 GLU HA H 36 5.088 5.088 4.605 0.483 26054 1387 1 11 . 1 1 36 36 GLU H H 36 8.712 8.712 9.256 -0.544 26054 1388 1 11 . 1 1 37 37 CYS N N 37 120.788 120.788 127.037 -6.249 26054 1389 1 11 . 1 1 37 37 CYS HA H 37 5.218 5.218 4.550 0.668 26054 1390 1 11 . 1 1 37 37 CYS H H 37 8.939 8.939 9.159 -0.220 26054 1391 1 11 . 1 1 38 38 LYS N N 38 127.824 127.824 128.485 -0.661 26054 1392 1 11 . 1 1 38 38 LYS HA H 38 5.217 5.217 5.021 0.196 26054 1393 1 11 . 1 1 38 38 LYS H H 38 8.089 8.089 7.714 0.375 26054 1394 1 11 . 1 1 39 39 PRO HA H 39 4.586 4.586 4.659 -0.073 26054 1395 1 11 . 1 1 40 40 ARG N N 40 124.448 124.448 119.027 5.421 26054 1396 1 11 . 1 1 40 40 ARG HA H 40 3.902 3.902 4.175 -0.273 26054 1397 1 11 . 1 1 40 40 ARG H H 40 8.052 8.052 8.385 -0.333 26054 1398 1 11 . 1 1 41 41 LEU N N 41 118.966 118.966 122.234 -3.268 26054 1399 1 11 . 1 1 41 41 LEU HA H 41 3.826 3.826 4.461 -0.635 26054 1400 1 11 . 1 1 41 41 LEU H H 41 8.705 8.705 8.340 0.365 26054 1401 1 11 . 1 1 42 42 ILE N N 42 133.826 133.826 121.055 12.771 26054 1402 1 11 . 1 1 42 42 ILE HA H 42 4.338 4.338 4.133 0.205 26054 1403 1 11 . 1 1 42 42 ILE H H 42 8.224 8.224 8.232 -0.008 26054 1404 1 11 . 1 1 43 43 MET N N 43 117.955 117.955 126.662 -8.707 26054 1405 1 11 . 1 1 43 43 MET HA H 43 4.055 4.055 4.455 -0.400 26054 1406 1 11 . 1 1 43 43 MET H H 43 8.223 8.223 8.416 -0.193 26054 1407 1 11 . 1 1 44 44 GLU N N 44 116.395 116.395 123.882 -7.487 26054 1408 1 11 . 1 1 44 44 GLU HA H 44 4.323 4.323 4.355 -0.032 26054 1409 1 11 . 1 1 44 44 GLU H H 44 8.601 8.601 8.651 -0.050 26054 1410 1 11 . 1 1 45 45 GLY N N 45 110.336 110.336 110.166 0.170 26054 1411 1 11 . 1 1 45 45 GLY H H 45 8.189 8.189 8.397 -0.208 26054 1412 1 11 . 1 1 46 46 LEU N N 46 116.745 116.745 120.176 -3.431 26054 1413 1 11 . 1 1 46 46 LEU HA H 46 4.362 4.362 4.533 -0.171 26054 1414 1 11 . 1 1 46 46 LEU H H 46 7.731 7.731 7.901 -0.170 26054 1415 1 11 . 1 1 47 47 GLY N N 47 104.013 104.013 105.895 -1.882 26054 1416 1 11 . 1 1 47 47 GLY H H 47 7.696 7.696 8.153 -0.457 26054 1417 1 11 . 1 1 48 48 LEU N N 48 118.143 118.143 119.979 -1.836 26054 1418 1 11 . 1 1 48 48 LEU HA H 48 4.248 4.248 4.893 -0.645 26054 1419 1 11 . 1 1 48 48 LEU H H 48 8.123 8.123 8.183 -0.060 26054 1420 1 12 . 1 1 2 2 LYS N N 2 123.044 123.044 117.507 5.537 26054 1421 1 12 . 1 1 2 2 LYS HA H 2 3.971 3.971 3.936 0.035 26054 1422 1 12 . 1 1 2 2 LYS H H 2 8.401 8.401 8.297 0.104 26054 1423 1 12 . 1 1 3 3 LYS N N 3 118.874 118.874 117.027 1.847 26054 1424 1 12 . 1 1 3 3 LYS HA H 3 4.332 4.332 4.269 0.063 26054 1425 1 12 . 1 1 3 3 LYS H H 3 8.269 8.269 8.111 0.158 26054 1426 1 12 . 1 1 4 4 LYS N N 4 124.043 124.043 118.683 5.360 26054 1427 1 12 . 1 1 4 4 LYS HA H 4 4.349 4.349 4.267 0.082 26054 1428 1 12 . 1 1 4 4 LYS H H 4 8.395 8.395 8.085 0.310 26054 1429 1 12 . 1 1 5 5 CYS N N 5 115.251 115.251 115.467 -0.216 26054 1430 1 12 . 1 1 5 5 CYS HA H 5 5.047 5.047 4.276 0.771 26054 1431 1 12 . 1 1 5 5 CYS H H 5 7.921 7.921 8.127 -0.206 26054 1432 1 12 . 1 1 6 6 ILE N N 6 120.706 120.706 118.110 2.596 26054 1433 1 12 . 1 1 6 6 ILE HA H 6 4.763 4.763 3.897 0.866 26054 1434 1 12 . 1 1 6 6 ILE H H 6 9.211 9.211 8.005 1.206 26054 1435 1 12 . 1 1 7 7 ALA N N 7 136.854 136.854 119.034 17.820 26054 1436 1 12 . 1 1 7 7 ALA HA H 7 3.977 3.977 3.888 0.089 26054 1437 1 12 . 1 1 7 7 ALA H H 7 8.798 8.798 8.334 0.464 26054 1438 1 12 . 1 1 8 8 LYS N N 8 118.663 118.663 120.707 -2.044 26054 1439 1 12 . 1 1 8 8 LYS HA H 8 4.102 4.102 4.179 -0.077 26054 1440 1 12 . 1 1 8 8 LYS H H 8 7.300 7.300 8.161 -0.861 26054 1441 1 12 . 1 1 9 9 ASP N N 9 133.072 133.072 115.836 17.236 26054 1442 1 12 . 1 1 9 9 ASP HA H 9 3.974 3.974 4.290 -0.316 26054 1443 1 12 . 1 1 9 9 ASP H H 9 9.197 9.197 8.200 0.997 26054 1444 1 12 . 1 1 10 10 TYR N N 10 120.909 120.909 123.255 -2.346 26054 1445 1 12 . 1 1 10 10 TYR HA H 10 4.036 4.036 4.519 -0.483 26054 1446 1 12 . 1 1 10 10 TYR H H 10 8.557 8.557 8.099 0.458 26054 1447 1 12 . 1 1 11 11 GLY N N 11 104.832 104.832 112.125 -7.293 26054 1448 1 12 . 1 1 11 11 GLY H H 11 7.958 7.958 7.982 -0.024 26054 1449 1 12 . 1 1 12 12 ARG N N 12 122.926 122.926 123.079 -0.153 26054 1450 1 12 . 1 1 12 12 ARG HA H 12 4.555 4.555 4.938 -0.383 26054 1451 1 12 . 1 1 12 12 ARG H H 12 8.266 8.266 8.358 -0.092 26054 1452 1 12 . 1 1 13 13 CYS N N 13 119.507 119.507 123.092 -3.585 26054 1453 1 12 . 1 1 13 13 CYS HA H 13 5.019 5.019 4.625 0.394 26054 1454 1 12 . 1 1 13 13 CYS H H 13 7.692 7.692 8.291 -0.599 26054 1455 1 12 . 1 1 14 14 LYS N N 14 119.666 119.666 125.342 -5.676 26054 1456 1 12 . 1 1 14 14 LYS HA H 14 4.577 4.577 4.018 0.559 26054 1457 1 12 . 1 1 14 14 LYS H H 14 9.093 9.093 8.202 0.891 26054 1458 1 12 . 1 1 15 15 TRP N N 15 129.454 129.454 124.139 5.315 26054 1459 1 12 . 1 1 15 15 TRP HA H 15 4.474 4.474 4.576 -0.102 26054 1460 1 12 . 1 1 15 15 TRP H H 15 9.088 9.088 7.404 1.684 26054 1461 1 12 . 1 1 16 16 GLY N N 16 115.369 115.369 105.398 9.971 26054 1462 1 12 . 1 1 16 16 GLY H H 16 8.745 8.745 8.070 0.675 26054 1463 1 12 . 1 1 17 17 GLY N N 17 108.088 108.088 109.444 -1.356 26054 1464 1 12 . 1 1 17 17 GLY H H 17 7.809 7.809 7.862 -0.053 26054 1465 1 12 . 1 1 18 18 THR N N 18 121.094 121.094 114.760 6.334 26054 1466 1 12 . 1 1 18 18 THR HA H 18 4.330 4.330 4.631 -0.301 26054 1467 1 12 . 1 1 18 18 THR H H 18 8.187 8.187 7.943 0.244 26054 1468 1 12 . 1 1 19 19 PRO HA H 19 4.512 4.512 4.544 -0.032 26054 1469 1 12 . 1 1 20 20 CYS N N 20 119.243 119.243 119.084 0.159 26054 1470 1 12 . 1 1 20 20 CYS HA H 20 4.760 4.760 4.681 0.079 26054 1471 1 12 . 1 1 20 20 CYS H H 20 8.910 8.910 8.499 0.411 26054 1472 1 12 . 1 1 21 21 CYS N N 21 119.815 119.815 124.878 -5.063 26054 1473 1 12 . 1 1 21 21 CYS HA H 21 4.649 4.649 4.230 0.419 26054 1474 1 12 . 1 1 21 21 CYS H H 21 8.559 8.559 8.761 -0.202 26054 1475 1 12 . 1 1 22 22 ARG N N 22 117.375 117.375 120.706 -3.331 26054 1476 1 12 . 1 1 22 22 ARG HA H 22 4.344 4.344 4.359 -0.015 26054 1477 1 12 . 1 1 22 22 ARG H H 22 7.922 7.922 8.339 -0.417 26054 1478 1 12 . 1 1 23 23 GLY N N 23 107.052 107.052 111.010 -3.958 26054 1479 1 12 . 1 1 23 23 GLY H H 23 8.566 8.566 8.506 0.060 26054 1480 1 12 . 1 1 24 24 ARG N N 24 118.904 118.904 119.869 -0.965 26054 1481 1 12 . 1 1 24 24 ARG HA H 24 3.917 3.917 4.429 -0.512 26054 1482 1 12 . 1 1 24 24 ARG H H 24 7.386 7.386 8.377 -0.991 26054 1483 1 12 . 1 1 25 25 GLY N N 25 110.468 110.468 111.137 -0.669 26054 1484 1 12 . 1 1 25 25 GLY H H 25 9.232 9.232 7.985 1.247 26054 1485 1 12 . 1 1 26 26 CYS N N 26 122.353 122.353 122.479 -0.126 26054 1486 1 12 . 1 1 26 26 CYS HA H 26 4.879 4.879 5.042 -0.163 26054 1487 1 12 . 1 1 26 26 CYS H H 26 8.462 8.462 8.162 0.300 26054 1488 1 12 . 1 1 27 27 ILE N N 27 130.221 130.221 126.312 3.909 26054 1489 1 12 . 1 1 27 27 ILE HA H 27 4.560 4.560 4.723 -0.163 26054 1490 1 12 . 1 1 27 27 ILE H H 27 8.866 8.866 8.684 0.182 26054 1491 1 12 . 1 1 28 28 CYS N N 28 127.575 127.575 125.882 1.693 26054 1492 1 12 . 1 1 28 28 CYS HA H 28 4.990 4.990 5.118 -0.128 26054 1493 1 12 . 1 1 28 28 CYS H H 28 8.991 8.991 8.642 0.349 26054 1494 1 12 . 1 1 29 29 SER N N 29 116.957 116.957 116.122 0.835 26054 1495 1 12 . 1 1 29 29 SER HA H 29 4.604 4.604 4.614 -0.010 26054 1496 1 12 . 1 1 29 29 SER H H 29 8.818 8.818 8.347 0.471 26054 1497 1 12 . 1 1 30 30 ILE N N 30 120.076 120.076 122.249 -2.173 26054 1498 1 12 . 1 1 30 30 ILE HA H 30 4.129 4.129 3.830 0.299 26054 1499 1 12 . 1 1 30 30 ILE H H 30 8.649 8.649 8.479 0.170 26054 1500 1 12 . 1 1 31 31 MET N N 31 121.623 121.623 118.160 3.463 26054 1501 1 12 . 1 1 31 31 MET HA H 31 4.488 4.488 4.632 -0.144 26054 1502 1 12 . 1 1 31 31 MET H H 31 8.074 8.074 8.103 -0.029 26054 1503 1 12 . 1 1 32 32 GLY N N 32 107.202 107.202 108.019 -0.817 26054 1504 1 12 . 1 1 32 32 GLY H H 32 8.233 8.233 8.261 -0.028 26054 1505 1 12 . 1 1 33 33 THR N N 33 109.666 109.666 113.012 -3.346 26054 1506 1 12 . 1 1 33 33 THR HA H 33 4.618 4.618 4.353 0.265 26054 1507 1 12 . 1 1 33 33 THR H H 33 7.514 7.514 7.946 -0.432 26054 1508 1 12 . 1 1 34 34 ASN N N 34 118.499 118.499 121.131 -2.632 26054 1509 1 12 . 1 1 34 34 ASN HA H 34 4.471 4.471 4.841 -0.370 26054 1510 1 12 . 1 1 34 34 ASN H H 34 8.750 8.750 8.276 0.474 26054 1511 1 12 . 1 1 35 35 CYS N N 35 119.713 119.713 120.229 -0.516 26054 1512 1 12 . 1 1 35 35 CYS HA H 35 5.085 5.085 4.744 0.341 26054 1513 1 12 . 1 1 35 35 CYS H H 35 8.374 8.374 8.019 0.355 26054 1514 1 12 . 1 1 36 36 GLU N N 36 122.063 122.063 123.005 -0.942 26054 1515 1 12 . 1 1 36 36 GLU HA H 36 5.088 5.088 4.980 0.108 26054 1516 1 12 . 1 1 36 36 GLU H H 36 8.712 8.712 8.426 0.286 26054 1517 1 12 . 1 1 37 37 CYS N N 37 120.788 120.788 121.848 -1.060 26054 1518 1 12 . 1 1 37 37 CYS HA H 37 5.218 5.218 4.803 0.415 26054 1519 1 12 . 1 1 37 37 CYS H H 37 8.939 8.939 8.483 0.456 26054 1520 1 12 . 1 1 38 38 LYS N N 38 127.824 127.824 126.736 1.088 26054 1521 1 12 . 1 1 38 38 LYS HA H 38 5.217 5.217 4.605 0.612 26054 1522 1 12 . 1 1 38 38 LYS H H 38 8.089 8.089 7.699 0.390 26054 1523 1 12 . 1 1 39 39 PRO HA H 39 4.586 4.586 4.024 0.562 26054 1524 1 12 . 1 1 40 40 ARG N N 40 124.448 124.448 116.997 7.451 26054 1525 1 12 . 1 1 40 40 ARG HA H 40 3.902 3.902 4.663 -0.761 26054 1526 1 12 . 1 1 40 40 ARG H H 40 8.052 8.052 8.161 -0.109 26054 1527 1 12 . 1 1 41 41 LEU N N 41 118.966 118.966 121.460 -2.494 26054 1528 1 12 . 1 1 41 41 LEU HA H 41 3.826 3.826 4.356 -0.530 26054 1529 1 12 . 1 1 41 41 LEU H H 41 8.705 8.705 8.075 0.630 26054 1530 1 12 . 1 1 42 42 ILE N N 42 133.826 133.826 119.203 14.623 26054 1531 1 12 . 1 1 42 42 ILE HA H 42 4.338 4.338 3.961 0.377 26054 1532 1 12 . 1 1 42 42 ILE H H 42 8.224 8.224 8.132 0.092 26054 1533 1 12 . 1 1 43 43 MET N N 43 117.955 117.955 113.882 4.073 26054 1534 1 12 . 1 1 43 43 MET HA H 43 4.055 4.055 4.784 -0.729 26054 1535 1 12 . 1 1 43 43 MET H H 43 8.223 8.223 8.096 0.127 26054 1536 1 12 . 1 1 44 44 GLU N N 44 116.395 116.395 121.912 -5.517 26054 1537 1 12 . 1 1 44 44 GLU HA H 44 4.323 4.323 4.264 0.059 26054 1538 1 12 . 1 1 44 44 GLU H H 44 8.601 8.601 8.794 -0.193 26054 1539 1 12 . 1 1 45 45 GLY N N 45 110.336 110.336 106.931 3.405 26054 1540 1 12 . 1 1 45 45 GLY H H 45 8.189 8.189 7.591 0.598 26054 1541 1 12 . 1 1 46 46 LEU N N 46 116.745 116.745 121.374 -4.629 26054 1542 1 12 . 1 1 46 46 LEU HA H 46 4.362 4.362 4.110 0.252 26054 1543 1 12 . 1 1 46 46 LEU H H 46 7.731 7.731 7.811 -0.080 26054 1544 1 12 . 1 1 47 47 GLY N N 47 104.013 104.013 105.429 -1.416 26054 1545 1 12 . 1 1 47 47 GLY H H 47 7.696 7.696 7.853 -0.157 26054 1546 1 12 . 1 1 48 48 LEU N N 48 118.143 118.143 120.188 -2.045 26054 1547 1 12 . 1 1 48 48 LEU HA H 48 4.248 4.248 4.497 -0.249 26054 1548 1 12 . 1 1 48 48 LEU H H 48 8.123 8.123 7.873 0.250 26054 1549 1 13 . 1 1 2 2 LYS N N 2 123.044 123.044 120.746 2.298 26054 1550 1 13 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.594 -0.623 26054 1551 1 13 . 1 1 2 2 LYS H H 2 8.401 8.401 8.854 -0.453 26054 1552 1 13 . 1 1 3 3 LYS N N 3 118.874 118.874 121.604 -2.730 26054 1553 1 13 . 1 1 3 3 LYS HA H 3 4.332 4.332 3.904 0.428 26054 1554 1 13 . 1 1 3 3 LYS H H 3 8.269 8.269 8.392 -0.123 26054 1555 1 13 . 1 1 4 4 LYS N N 4 124.043 124.043 119.917 4.126 26054 1556 1 13 . 1 1 4 4 LYS HA H 4 4.349 4.349 4.448 -0.099 26054 1557 1 13 . 1 1 4 4 LYS H H 4 8.395 8.395 8.590 -0.195 26054 1558 1 13 . 1 1 5 5 CYS N N 5 115.251 115.251 119.088 -3.837 26054 1559 1 13 . 1 1 5 5 CYS HA H 5 5.047 5.047 4.222 0.825 26054 1560 1 13 . 1 1 5 5 CYS H H 5 7.921 7.921 8.425 -0.504 26054 1561 1 13 . 1 1 6 6 ILE N N 6 120.706 120.706 113.117 7.589 26054 1562 1 13 . 1 1 6 6 ILE HA H 6 4.763 4.763 4.383 0.380 26054 1563 1 13 . 1 1 6 6 ILE H H 6 9.211 9.211 7.645 1.566 26054 1564 1 13 . 1 1 7 7 ALA N N 7 136.854 136.854 120.245 16.609 26054 1565 1 13 . 1 1 7 7 ALA HA H 7 3.977 3.977 4.619 -0.642 26054 1566 1 13 . 1 1 7 7 ALA H H 7 8.798 8.798 8.273 0.525 26054 1567 1 13 . 1 1 8 8 LYS N N 8 118.663 118.663 118.471 0.192 26054 1568 1 13 . 1 1 8 8 LYS HA H 8 4.102 4.102 4.140 -0.038 26054 1569 1 13 . 1 1 8 8 LYS H H 8 7.300 7.300 8.022 -0.722 26054 1570 1 13 . 1 1 9 9 ASP N N 9 133.072 133.072 117.944 15.128 26054 1571 1 13 . 1 1 9 9 ASP HA H 9 3.974 3.974 4.101 -0.127 26054 1572 1 13 . 1 1 9 9 ASP H H 9 9.197 9.197 8.066 1.131 26054 1573 1 13 . 1 1 10 10 TYR N N 10 120.909 120.909 119.217 1.692 26054 1574 1 13 . 1 1 10 10 TYR HA H 10 4.036 4.036 3.860 0.176 26054 1575 1 13 . 1 1 10 10 TYR H H 10 8.557 8.557 7.981 0.576 26054 1576 1 13 . 1 1 11 11 GLY N N 11 104.832 104.832 107.130 -2.298 26054 1577 1 13 . 1 1 11 11 GLY H H 11 7.958 7.958 8.129 -0.171 26054 1578 1 13 . 1 1 12 12 ARG N N 12 122.926 122.926 122.996 -0.070 26054 1579 1 13 . 1 1 12 12 ARG HA H 12 4.555 4.555 4.355 0.200 26054 1580 1 13 . 1 1 12 12 ARG H H 12 8.266 8.266 8.274 -0.008 26054 1581 1 13 . 1 1 13 13 CYS N N 13 119.507 119.507 123.647 -4.140 26054 1582 1 13 . 1 1 13 13 CYS HA H 13 5.019 5.019 5.005 0.014 26054 1583 1 13 . 1 1 13 13 CYS H H 13 7.692 7.692 7.977 -0.285 26054 1584 1 13 . 1 1 14 14 LYS N N 14 119.666 119.666 125.302 -5.636 26054 1585 1 13 . 1 1 14 14 LYS HA H 14 4.577 4.577 4.647 -0.070 26054 1586 1 13 . 1 1 14 14 LYS H H 14 9.093 9.093 8.497 0.596 26054 1587 1 13 . 1 1 15 15 TRP N N 15 129.454 129.454 126.507 2.947 26054 1588 1 13 . 1 1 15 15 TRP HA H 15 4.474 4.474 4.269 0.205 26054 1589 1 13 . 1 1 15 15 TRP H H 15 9.088 9.088 8.667 0.421 26054 1590 1 13 . 1 1 16 16 GLY N N 16 115.369 115.369 111.725 3.644 26054 1591 1 13 . 1 1 16 16 GLY H H 16 8.745 8.745 8.921 -0.176 26054 1592 1 13 . 1 1 17 17 GLY N N 17 108.088 108.088 111.881 -3.793 26054 1593 1 13 . 1 1 17 17 GLY H H 17 7.809 7.809 8.550 -0.741 26054 1594 1 13 . 1 1 18 18 THR N N 18 121.094 121.094 116.909 4.185 26054 1595 1 13 . 1 1 18 18 THR HA H 18 4.330 4.330 4.644 -0.314 26054 1596 1 13 . 1 1 18 18 THR H H 18 8.187 8.187 7.619 0.568 26054 1597 1 13 . 1 1 19 19 PRO HA H 19 4.512 4.512 3.985 0.527 26054 1598 1 13 . 1 1 20 20 CYS N N 20 119.243 119.243 116.067 3.176 26054 1599 1 13 . 1 1 20 20 CYS HA H 20 4.760 4.760 4.363 0.397 26054 1600 1 13 . 1 1 20 20 CYS H H 20 8.910 8.910 8.107 0.803 26054 1601 1 13 . 1 1 21 21 CYS N N 21 119.815 119.815 119.777 0.038 26054 1602 1 13 . 1 1 21 21 CYS HA H 21 4.649 4.649 4.084 0.565 26054 1603 1 13 . 1 1 21 21 CYS H H 21 8.559 8.559 8.462 0.097 26054 1604 1 13 . 1 1 22 22 ARG N N 22 117.375 117.375 119.967 -2.592 26054 1605 1 13 . 1 1 22 22 ARG HA H 22 4.344 4.344 4.139 0.205 26054 1606 1 13 . 1 1 22 22 ARG H H 22 7.922 7.922 7.751 0.171 26054 1607 1 13 . 1 1 23 23 GLY N N 23 107.052 107.052 111.591 -4.539 26054 1608 1 13 . 1 1 23 23 GLY H H 23 8.566 8.566 8.327 0.239 26054 1609 1 13 . 1 1 24 24 ARG N N 24 118.904 118.904 119.340 -0.436 26054 1610 1 13 . 1 1 24 24 ARG HA H 24 3.917 3.917 4.305 -0.388 26054 1611 1 13 . 1 1 24 24 ARG H H 24 7.386 7.386 8.079 -0.693 26054 1612 1 13 . 1 1 25 25 GLY N N 25 110.468 110.468 109.897 0.571 26054 1613 1 13 . 1 1 25 25 GLY H H 25 9.232 9.232 8.201 1.031 26054 1614 1 13 . 1 1 26 26 CYS N N 26 122.353 122.353 122.025 0.328 26054 1615 1 13 . 1 1 26 26 CYS HA H 26 4.879 4.879 5.114 -0.235 26054 1616 1 13 . 1 1 26 26 CYS H H 26 8.462 8.462 7.930 0.532 26054 1617 1 13 . 1 1 27 27 ILE N N 27 130.221 130.221 128.800 1.421 26054 1618 1 13 . 1 1 27 27 ILE HA H 27 4.560 4.560 4.658 -0.098 26054 1619 1 13 . 1 1 27 27 ILE H H 27 8.866 8.866 8.528 0.338 26054 1620 1 13 . 1 1 28 28 CYS N N 28 127.575 127.575 124.036 3.539 26054 1621 1 13 . 1 1 28 28 CYS HA H 28 4.990 4.990 5.261 -0.271 26054 1622 1 13 . 1 1 28 28 CYS H H 28 8.991 8.991 8.328 0.663 26054 1623 1 13 . 1 1 29 29 SER N N 29 116.957 116.957 116.022 0.935 26054 1624 1 13 . 1 1 29 29 SER HA H 29 4.604 4.604 4.611 -0.007 26054 1625 1 13 . 1 1 29 29 SER H H 29 8.818 8.818 8.497 0.321 26054 1626 1 13 . 1 1 30 30 ILE N N 30 120.076 120.076 123.894 -3.818 26054 1627 1 13 . 1 1 30 30 ILE HA H 30 4.129 4.129 3.872 0.257 26054 1628 1 13 . 1 1 30 30 ILE H H 30 8.649 8.649 8.724 -0.075 26054 1629 1 13 . 1 1 31 31 MET N N 31 121.623 121.623 115.261 6.362 26054 1630 1 13 . 1 1 31 31 MET HA H 31 4.488 4.488 4.519 -0.031 26054 1631 1 13 . 1 1 31 31 MET H H 31 8.074 8.074 8.011 0.063 26054 1632 1 13 . 1 1 32 32 GLY N N 32 107.202 107.202 107.874 -0.672 26054 1633 1 13 . 1 1 32 32 GLY H H 32 8.233 8.233 8.076 0.157 26054 1634 1 13 . 1 1 33 33 THR N N 33 109.666 109.666 113.400 -3.734 26054 1635 1 13 . 1 1 33 33 THR HA H 33 4.618 4.618 4.326 0.292 26054 1636 1 13 . 1 1 33 33 THR H H 33 7.514 7.514 7.807 -0.293 26054 1637 1 13 . 1 1 34 34 ASN N N 34 118.499 118.499 122.753 -4.254 26054 1638 1 13 . 1 1 34 34 ASN HA H 34 4.471 4.471 4.850 -0.379 26054 1639 1 13 . 1 1 34 34 ASN H H 34 8.750 8.750 8.508 0.242 26054 1640 1 13 . 1 1 35 35 CYS N N 35 119.713 119.713 120.789 -1.076 26054 1641 1 13 . 1 1 35 35 CYS HA H 35 5.085 5.085 5.125 -0.040 26054 1642 1 13 . 1 1 35 35 CYS H H 35 8.374 8.374 7.868 0.506 26054 1643 1 13 . 1 1 36 36 GLU N N 36 122.063 122.063 123.705 -1.642 26054 1644 1 13 . 1 1 36 36 GLU HA H 36 5.088 5.088 4.886 0.202 26054 1645 1 13 . 1 1 36 36 GLU H H 36 8.712 8.712 8.506 0.206 26054 1646 1 13 . 1 1 37 37 CYS N N 37 120.788 120.788 121.330 -0.542 26054 1647 1 13 . 1 1 37 37 CYS HA H 37 5.218 5.218 4.663 0.555 26054 1648 1 13 . 1 1 37 37 CYS H H 37 8.939 8.939 9.071 -0.132 26054 1649 1 13 . 1 1 38 38 LYS N N 38 127.824 127.824 128.608 -0.784 26054 1650 1 13 . 1 1 38 38 LYS HA H 38 5.217 5.217 4.881 0.336 26054 1651 1 13 . 1 1 38 38 LYS H H 38 8.089 8.089 8.022 0.067 26054 1652 1 13 . 1 1 39 39 PRO HA H 39 4.586 4.586 4.538 0.048 26054 1653 1 13 . 1 1 40 40 ARG N N 40 124.448 124.448 118.638 5.810 26054 1654 1 13 . 1 1 40 40 ARG HA H 40 3.902 3.902 4.264 -0.362 26054 1655 1 13 . 1 1 40 40 ARG H H 40 8.052 8.052 8.360 -0.308 26054 1656 1 13 . 1 1 41 41 LEU N N 41 118.966 118.966 119.847 -0.881 26054 1657 1 13 . 1 1 41 41 LEU HA H 41 3.826 3.826 4.291 -0.465 26054 1658 1 13 . 1 1 41 41 LEU H H 41 8.705 8.705 8.193 0.512 26054 1659 1 13 . 1 1 42 42 ILE N N 42 133.826 133.826 113.566 20.260 26054 1660 1 13 . 1 1 42 42 ILE HA H 42 4.338 4.338 4.376 -0.038 26054 1661 1 13 . 1 1 42 42 ILE H H 42 8.224 8.224 7.423 0.801 26054 1662 1 13 . 1 1 43 43 MET N N 43 117.955 117.955 120.750 -2.795 26054 1663 1 13 . 1 1 43 43 MET HA H 43 4.055 4.055 4.569 -0.514 26054 1664 1 13 . 1 1 43 43 MET H H 43 8.223 8.223 8.347 -0.124 26054 1665 1 13 . 1 1 44 44 GLU N N 44 116.395 116.395 123.337 -6.942 26054 1666 1 13 . 1 1 44 44 GLU HA H 44 4.323 4.323 4.370 -0.047 26054 1667 1 13 . 1 1 44 44 GLU H H 44 8.601 8.601 8.853 -0.252 26054 1668 1 13 . 1 1 45 45 GLY N N 45 110.336 110.336 114.065 -3.729 26054 1669 1 13 . 1 1 45 45 GLY H H 45 8.189 8.189 8.886 -0.697 26054 1670 1 13 . 1 1 46 46 LEU N N 46 116.745 116.745 119.911 -3.166 26054 1671 1 13 . 1 1 46 46 LEU HA H 46 4.362 4.362 4.031 0.331 26054 1672 1 13 . 1 1 46 46 LEU H H 46 7.731 7.731 7.542 0.189 26054 1673 1 13 . 1 1 47 47 GLY N N 47 104.013 104.013 111.246 -7.233 26054 1674 1 13 . 1 1 47 47 GLY H H 47 7.696 7.696 8.405 -0.709 26054 1675 1 13 . 1 1 48 48 LEU N N 48 118.143 118.143 116.843 1.300 26054 1676 1 13 . 1 1 48 48 LEU HA H 48 4.248 4.248 4.667 -0.419 26054 1677 1 13 . 1 1 48 48 LEU H H 48 8.123 8.123 7.600 0.523 26054 1678 1 14 . 1 1 2 2 LYS N N 2 123.044 123.044 119.971 3.073 26054 1679 1 14 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.771 -0.800 26054 1680 1 14 . 1 1 2 2 LYS H H 2 8.401 8.401 7.600 0.801 26054 1681 1 14 . 1 1 3 3 LYS N N 3 118.874 118.874 118.126 0.748 26054 1682 1 14 . 1 1 3 3 LYS HA H 3 4.332 4.332 3.883 0.449 26054 1683 1 14 . 1 1 3 3 LYS H H 3 8.269 8.269 8.652 -0.383 26054 1684 1 14 . 1 1 4 4 LYS N N 4 124.043 124.043 119.503 4.540 26054 1685 1 14 . 1 1 4 4 LYS HA H 4 4.349 4.349 4.346 0.003 26054 1686 1 14 . 1 1 4 4 LYS H H 4 8.395 8.395 8.555 -0.160 26054 1687 1 14 . 1 1 5 5 CYS N N 5 115.251 115.251 116.848 -1.597 26054 1688 1 14 . 1 1 5 5 CYS HA H 5 5.047 5.047 4.116 0.931 26054 1689 1 14 . 1 1 5 5 CYS H H 5 7.921 7.921 8.537 -0.616 26054 1690 1 14 . 1 1 6 6 ILE N N 6 120.706 120.706 120.158 0.548 26054 1691 1 14 . 1 1 6 6 ILE HA H 6 4.763 4.763 4.382 0.381 26054 1692 1 14 . 1 1 6 6 ILE H H 6 9.211 9.211 8.066 1.145 26054 1693 1 14 . 1 1 7 7 ALA N N 7 136.854 136.854 123.432 13.422 26054 1694 1 14 . 1 1 7 7 ALA HA H 7 3.977 3.977 4.042 -0.065 26054 1695 1 14 . 1 1 7 7 ALA H H 7 8.798 8.798 8.355 0.443 26054 1696 1 14 . 1 1 8 8 LYS N N 8 118.663 118.663 119.747 -1.084 26054 1697 1 14 . 1 1 8 8 LYS HA H 8 4.102 4.102 4.011 0.091 26054 1698 1 14 . 1 1 8 8 LYS H H 8 7.300 7.300 8.349 -1.049 26054 1699 1 14 . 1 1 9 9 ASP N N 9 133.072 133.072 115.202 17.870 26054 1700 1 14 . 1 1 9 9 ASP HA H 9 3.974 3.974 4.120 -0.146 26054 1701 1 14 . 1 1 9 9 ASP H H 9 9.197 9.197 8.525 0.672 26054 1702 1 14 . 1 1 10 10 TYR N N 10 120.909 120.909 121.139 -0.230 26054 1703 1 14 . 1 1 10 10 TYR HA H 10 4.036 4.036 4.368 -0.332 26054 1704 1 14 . 1 1 10 10 TYR H H 10 8.557 8.557 8.471 0.086 26054 1705 1 14 . 1 1 11 11 GLY N N 11 104.832 104.832 108.647 -3.815 26054 1706 1 14 . 1 1 11 11 GLY H H 11 7.958 7.958 8.128 -0.170 26054 1707 1 14 . 1 1 12 12 ARG N N 12 122.926 122.926 123.564 -0.638 26054 1708 1 14 . 1 1 12 12 ARG HA H 12 4.555 4.555 4.471 0.084 26054 1709 1 14 . 1 1 12 12 ARG H H 12 8.266 8.266 8.455 -0.189 26054 1710 1 14 . 1 1 13 13 CYS N N 13 119.507 119.507 121.241 -1.734 26054 1711 1 14 . 1 1 13 13 CYS HA H 13 5.019 5.019 4.966 0.053 26054 1712 1 14 . 1 1 13 13 CYS H H 13 7.692 7.692 8.032 -0.340 26054 1713 1 14 . 1 1 14 14 LYS N N 14 119.666 119.666 119.262 0.404 26054 1714 1 14 . 1 1 14 14 LYS HA H 14 4.577 4.577 4.581 -0.004 26054 1715 1 14 . 1 1 14 14 LYS H H 14 9.093 9.093 8.213 0.880 26054 1716 1 14 . 1 1 15 15 TRP N N 15 129.454 129.454 127.041 2.413 26054 1717 1 14 . 1 1 15 15 TRP HA H 15 4.474 4.474 4.391 0.083 26054 1718 1 14 . 1 1 15 15 TRP H H 15 9.088 9.088 9.144 -0.056 26054 1719 1 14 . 1 1 16 16 GLY N N 16 115.369 115.369 103.108 12.261 26054 1720 1 14 . 1 1 16 16 GLY H H 16 8.745 8.745 8.333 0.412 26054 1721 1 14 . 1 1 17 17 GLY N N 17 108.088 108.088 109.072 -0.984 26054 1722 1 14 . 1 1 17 17 GLY H H 17 7.809 7.809 7.950 -0.141 26054 1723 1 14 . 1 1 18 18 THR N N 18 121.094 121.094 115.431 5.663 26054 1724 1 14 . 1 1 18 18 THR HA H 18 4.330 4.330 4.797 -0.467 26054 1725 1 14 . 1 1 18 18 THR H H 18 8.187 8.187 7.621 0.566 26054 1726 1 14 . 1 1 19 19 PRO HA H 19 4.512 4.512 4.201 0.311 26054 1727 1 14 . 1 1 20 20 CYS N N 20 119.243 119.243 117.086 2.157 26054 1728 1 14 . 1 1 20 20 CYS HA H 20 4.760 4.760 4.035 0.725 26054 1729 1 14 . 1 1 20 20 CYS H H 20 8.910 8.910 8.038 0.872 26054 1730 1 14 . 1 1 21 21 CYS N N 21 119.815 119.815 123.417 -3.602 26054 1731 1 14 . 1 1 21 21 CYS HA H 21 4.649 4.649 4.040 0.609 26054 1732 1 14 . 1 1 21 21 CYS H H 21 8.559 8.559 8.528 0.031 26054 1733 1 14 . 1 1 22 22 ARG N N 22 117.375 117.375 119.157 -1.782 26054 1734 1 14 . 1 1 22 22 ARG HA H 22 4.344 4.344 4.172 0.172 26054 1735 1 14 . 1 1 22 22 ARG H H 22 7.922 7.922 7.794 0.128 26054 1736 1 14 . 1 1 23 23 GLY N N 23 107.052 107.052 108.634 -1.582 26054 1737 1 14 . 1 1 23 23 GLY H H 23 8.566 8.566 8.362 0.204 26054 1738 1 14 . 1 1 24 24 ARG N N 24 118.904 118.904 118.434 0.470 26054 1739 1 14 . 1 1 24 24 ARG HA H 24 3.917 3.917 3.909 0.008 26054 1740 1 14 . 1 1 24 24 ARG H H 24 7.386 7.386 8.019 -0.633 26054 1741 1 14 . 1 1 25 25 GLY N N 25 110.468 110.468 110.164 0.304 26054 1742 1 14 . 1 1 25 25 GLY H H 25 9.232 9.232 7.873 1.359 26054 1743 1 14 . 1 1 26 26 CYS N N 26 122.353 122.353 121.974 0.379 26054 1744 1 14 . 1 1 26 26 CYS HA H 26 4.879 4.879 4.579 0.300 26054 1745 1 14 . 1 1 26 26 CYS H H 26 8.462 8.462 7.721 0.741 26054 1746 1 14 . 1 1 27 27 ILE N N 27 130.221 130.221 128.352 1.869 26054 1747 1 14 . 1 1 27 27 ILE HA H 27 4.560 4.560 4.634 -0.074 26054 1748 1 14 . 1 1 27 27 ILE H H 27 8.866 8.866 7.994 0.872 26054 1749 1 14 . 1 1 28 28 CYS N N 28 127.575 127.575 125.917 1.658 26054 1750 1 14 . 1 1 28 28 CYS HA H 28 4.990 4.990 5.198 -0.208 26054 1751 1 14 . 1 1 28 28 CYS H H 28 8.991 8.991 8.568 0.423 26054 1752 1 14 . 1 1 29 29 SER N N 29 116.957 116.957 115.632 1.325 26054 1753 1 14 . 1 1 29 29 SER HA H 29 4.604 4.604 4.552 0.052 26054 1754 1 14 . 1 1 29 29 SER H H 29 8.818 8.818 8.370 0.448 26054 1755 1 14 . 1 1 30 30 ILE N N 30 120.076 120.076 123.061 -2.985 26054 1756 1 14 . 1 1 30 30 ILE HA H 30 4.129 4.129 3.850 0.279 26054 1757 1 14 . 1 1 30 30 ILE H H 30 8.649 8.649 8.697 -0.048 26054 1758 1 14 . 1 1 31 31 MET N N 31 121.623 121.623 116.999 4.624 26054 1759 1 14 . 1 1 31 31 MET HA H 31 4.488 4.488 4.505 -0.017 26054 1760 1 14 . 1 1 31 31 MET H H 31 8.074 8.074 8.147 -0.073 26054 1761 1 14 . 1 1 32 32 GLY N N 32 107.202 107.202 108.708 -1.506 26054 1762 1 14 . 1 1 32 32 GLY H H 32 8.233 8.233 7.958 0.275 26054 1763 1 14 . 1 1 33 33 THR N N 33 109.666 109.666 111.579 -1.913 26054 1764 1 14 . 1 1 33 33 THR HA H 33 4.618 4.618 4.362 0.256 26054 1765 1 14 . 1 1 33 33 THR H H 33 7.514 7.514 7.787 -0.273 26054 1766 1 14 . 1 1 34 34 ASN N N 34 118.499 118.499 123.108 -4.609 26054 1767 1 14 . 1 1 34 34 ASN HA H 34 4.471 4.471 4.855 -0.384 26054 1768 1 14 . 1 1 34 34 ASN H H 34 8.750 8.750 8.472 0.278 26054 1769 1 14 . 1 1 35 35 CYS N N 35 119.713 119.713 120.804 -1.091 26054 1770 1 14 . 1 1 35 35 CYS HA H 35 5.085 5.085 4.873 0.212 26054 1771 1 14 . 1 1 35 35 CYS H H 35 8.374 8.374 7.755 0.619 26054 1772 1 14 . 1 1 36 36 GLU N N 36 122.063 122.063 124.994 -2.931 26054 1773 1 14 . 1 1 36 36 GLU HA H 36 5.088 5.088 4.746 0.342 26054 1774 1 14 . 1 1 36 36 GLU H H 36 8.712 8.712 8.805 -0.093 26054 1775 1 14 . 1 1 37 37 CYS N N 37 120.788 120.788 123.614 -2.826 26054 1776 1 14 . 1 1 37 37 CYS HA H 37 5.218 5.218 4.417 0.801 26054 1777 1 14 . 1 1 37 37 CYS H H 37 8.939 8.939 9.122 -0.183 26054 1778 1 14 . 1 1 38 38 LYS N N 38 127.824 127.824 127.075 0.749 26054 1779 1 14 . 1 1 38 38 LYS HA H 38 5.217 5.217 5.104 0.113 26054 1780 1 14 . 1 1 38 38 LYS H H 38 8.089 8.089 7.592 0.497 26054 1781 1 14 . 1 1 39 39 PRO HA H 39 4.586 4.586 4.468 0.118 26054 1782 1 14 . 1 1 40 40 ARG N N 40 124.448 124.448 116.451 7.997 26054 1783 1 14 . 1 1 40 40 ARG HA H 40 3.902 3.902 4.577 -0.675 26054 1784 1 14 . 1 1 40 40 ARG H H 40 8.052 8.052 7.919 0.133 26054 1785 1 14 . 1 1 41 41 LEU N N 41 118.966 118.966 122.479 -3.513 26054 1786 1 14 . 1 1 41 41 LEU HA H 41 3.826 3.826 4.461 -0.635 26054 1787 1 14 . 1 1 41 41 LEU H H 41 8.705 8.705 8.307 0.398 26054 1788 1 14 . 1 1 42 42 ILE N N 42 133.826 133.826 119.200 14.626 26054 1789 1 14 . 1 1 42 42 ILE HA H 42 4.338 4.338 4.123 0.215 26054 1790 1 14 . 1 1 42 42 ILE H H 42 8.224 8.224 8.332 -0.108 26054 1791 1 14 . 1 1 43 43 MET N N 43 117.955 117.955 120.105 -2.150 26054 1792 1 14 . 1 1 43 43 MET HA H 43 4.055 4.055 4.212 -0.157 26054 1793 1 14 . 1 1 43 43 MET H H 43 8.223 8.223 7.679 0.544 26054 1794 1 14 . 1 1 44 44 GLU N N 44 116.395 116.395 123.719 -7.324 26054 1795 1 14 . 1 1 44 44 GLU HA H 44 4.323 4.323 4.249 0.074 26054 1796 1 14 . 1 1 44 44 GLU H H 44 8.601 8.601 8.467 0.134 26054 1797 1 14 . 1 1 45 45 GLY N N 45 110.336 110.336 109.366 0.970 26054 1798 1 14 . 1 1 45 45 GLY H H 45 8.189 8.189 8.229 -0.040 26054 1799 1 14 . 1 1 46 46 LEU N N 46 116.745 116.745 119.869 -3.124 26054 1800 1 14 . 1 1 46 46 LEU HA H 46 4.362 4.362 4.546 -0.184 26054 1801 1 14 . 1 1 46 46 LEU H H 46 7.731 7.731 7.962 -0.231 26054 1802 1 14 . 1 1 47 47 GLY N N 47 104.013 104.013 105.411 -1.398 26054 1803 1 14 . 1 1 47 47 GLY H H 47 7.696 7.696 8.119 -0.423 26054 1804 1 14 . 1 1 48 48 LEU N N 48 118.143 118.143 120.161 -2.018 26054 1805 1 14 . 1 1 48 48 LEU HA H 48 4.248 4.248 4.910 -0.662 26054 1806 1 14 . 1 1 48 48 LEU H H 48 8.123 8.123 8.093 0.030 26054 1807 1 15 . 1 1 2 2 LYS N N 2 123.044 123.044 120.466 2.578 26054 1808 1 15 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.526 -0.555 26054 1809 1 15 . 1 1 2 2 LYS H H 2 8.401 8.401 7.891 0.510 26054 1810 1 15 . 1 1 3 3 LYS N N 3 118.874 118.874 121.230 -2.356 26054 1811 1 15 . 1 1 3 3 LYS HA H 3 4.332 4.332 4.303 0.029 26054 1812 1 15 . 1 1 3 3 LYS H H 3 8.269 8.269 7.960 0.309 26054 1813 1 15 . 1 1 4 4 LYS N N 4 124.043 124.043 118.191 5.852 26054 1814 1 15 . 1 1 4 4 LYS HA H 4 4.349 4.349 4.489 -0.140 26054 1815 1 15 . 1 1 4 4 LYS H H 4 8.395 8.395 8.664 -0.269 26054 1816 1 15 . 1 1 5 5 CYS N N 5 115.251 115.251 118.317 -3.066 26054 1817 1 15 . 1 1 5 5 CYS HA H 5 5.047 5.047 4.459 0.588 26054 1818 1 15 . 1 1 5 5 CYS H H 5 7.921 7.921 8.351 -0.430 26054 1819 1 15 . 1 1 6 6 ILE N N 6 120.706 120.706 117.252 3.454 26054 1820 1 15 . 1 1 6 6 ILE HA H 6 4.763 4.763 4.392 0.371 26054 1821 1 15 . 1 1 6 6 ILE H H 6 9.211 9.211 8.078 1.133 26054 1822 1 15 . 1 1 7 7 ALA N N 7 136.854 136.854 122.286 14.568 26054 1823 1 15 . 1 1 7 7 ALA HA H 7 3.977 3.977 3.764 0.213 26054 1824 1 15 . 1 1 7 7 ALA H H 7 8.798 8.798 7.672 1.126 26054 1825 1 15 . 1 1 8 8 LYS N N 8 118.663 118.663 121.622 -2.959 26054 1826 1 15 . 1 1 8 8 LYS HA H 8 4.102 4.102 4.139 -0.037 26054 1827 1 15 . 1 1 8 8 LYS H H 8 7.300 7.300 8.482 -1.182 26054 1828 1 15 . 1 1 9 9 ASP N N 9 133.072 133.072 118.130 14.942 26054 1829 1 15 . 1 1 9 9 ASP HA H 9 3.974 3.974 4.576 -0.602 26054 1830 1 15 . 1 1 9 9 ASP H H 9 9.197 9.197 8.323 0.874 26054 1831 1 15 . 1 1 10 10 TYR N N 10 120.909 120.909 120.949 -0.040 26054 1832 1 15 . 1 1 10 10 TYR HA H 10 4.036 4.036 3.995 0.041 26054 1833 1 15 . 1 1 10 10 TYR H H 10 8.557 8.557 7.890 0.667 26054 1834 1 15 . 1 1 11 11 GLY N N 11 104.832 104.832 107.353 -2.521 26054 1835 1 15 . 1 1 11 11 GLY H H 11 7.958 7.958 8.382 -0.424 26054 1836 1 15 . 1 1 12 12 ARG N N 12 122.926 122.926 123.186 -0.260 26054 1837 1 15 . 1 1 12 12 ARG HA H 12 4.555 4.555 5.236 -0.681 26054 1838 1 15 . 1 1 12 12 ARG H H 12 8.266 8.266 8.282 -0.016 26054 1839 1 15 . 1 1 13 13 CYS N N 13 119.507 119.507 116.937 2.570 26054 1840 1 15 . 1 1 13 13 CYS HA H 13 5.019 5.019 5.116 -0.097 26054 1841 1 15 . 1 1 13 13 CYS H H 13 7.692 7.692 8.321 -0.629 26054 1842 1 15 . 1 1 14 14 LYS N N 14 119.666 119.666 121.370 -1.704 26054 1843 1 15 . 1 1 14 14 LYS HA H 14 4.577 4.577 4.149 0.428 26054 1844 1 15 . 1 1 14 14 LYS H H 14 9.093 9.093 8.008 1.085 26054 1845 1 15 . 1 1 15 15 TRP N N 15 129.454 129.454 126.136 3.318 26054 1846 1 15 . 1 1 15 15 TRP HA H 15 4.474 4.474 4.390 0.084 26054 1847 1 15 . 1 1 15 15 TRP H H 15 9.088 9.088 7.862 1.226 26054 1848 1 15 . 1 1 16 16 GLY N N 16 115.369 115.369 108.014 7.355 26054 1849 1 15 . 1 1 16 16 GLY H H 16 8.745 8.745 8.464 0.281 26054 1850 1 15 . 1 1 17 17 GLY N N 17 108.088 108.088 108.840 -0.752 26054 1851 1 15 . 1 1 17 17 GLY H H 17 7.809 7.809 7.871 -0.062 26054 1852 1 15 . 1 1 18 18 THR N N 18 121.094 121.094 115.494 5.600 26054 1853 1 15 . 1 1 18 18 THR HA H 18 4.330 4.330 4.776 -0.446 26054 1854 1 15 . 1 1 18 18 THR H H 18 8.187 8.187 7.482 0.705 26054 1855 1 15 . 1 1 19 19 PRO HA H 19 4.512 4.512 4.449 0.063 26054 1856 1 15 . 1 1 20 20 CYS N N 20 119.243 119.243 115.511 3.732 26054 1857 1 15 . 1 1 20 20 CYS HA H 20 4.760 4.760 4.104 0.656 26054 1858 1 15 . 1 1 20 20 CYS H H 20 8.910 8.910 8.202 0.708 26054 1859 1 15 . 1 1 21 21 CYS N N 21 119.815 119.815 123.586 -3.771 26054 1860 1 15 . 1 1 21 21 CYS HA H 21 4.649 4.649 4.218 0.431 26054 1861 1 15 . 1 1 21 21 CYS H H 21 8.559 8.559 8.629 -0.070 26054 1862 1 15 . 1 1 22 22 ARG N N 22 117.375 117.375 120.378 -3.003 26054 1863 1 15 . 1 1 22 22 ARG HA H 22 4.344 4.344 4.127 0.217 26054 1864 1 15 . 1 1 22 22 ARG H H 22 7.922 7.922 8.428 -0.506 26054 1865 1 15 . 1 1 23 23 GLY N N 23 107.052 107.052 112.227 -5.175 26054 1866 1 15 . 1 1 23 23 GLY H H 23 8.566 8.566 8.143 0.423 26054 1867 1 15 . 1 1 24 24 ARG N N 24 118.904 118.904 122.120 -3.216 26054 1868 1 15 . 1 1 24 24 ARG HA H 24 3.917 3.917 4.266 -0.349 26054 1869 1 15 . 1 1 24 24 ARG H H 24 7.386 7.386 8.257 -0.871 26054 1870 1 15 . 1 1 25 25 GLY N N 25 110.468 110.468 108.096 2.372 26054 1871 1 15 . 1 1 25 25 GLY H H 25 9.232 9.232 8.068 1.164 26054 1872 1 15 . 1 1 26 26 CYS N N 26 122.353 122.353 123.862 -1.509 26054 1873 1 15 . 1 1 26 26 CYS HA H 26 4.879 4.879 5.469 -0.590 26054 1874 1 15 . 1 1 26 26 CYS H H 26 8.462 8.462 8.817 -0.355 26054 1875 1 15 . 1 1 27 27 ILE N N 27 130.221 130.221 128.994 1.227 26054 1876 1 15 . 1 1 27 27 ILE HA H 27 4.560 4.560 5.022 -0.462 26054 1877 1 15 . 1 1 27 27 ILE H H 27 8.866 8.866 8.625 0.241 26054 1878 1 15 . 1 1 28 28 CYS N N 28 127.575 127.575 123.267 4.308 26054 1879 1 15 . 1 1 28 28 CYS HA H 28 4.990 4.990 5.214 -0.224 26054 1880 1 15 . 1 1 28 28 CYS H H 28 8.991 8.991 8.617 0.374 26054 1881 1 15 . 1 1 29 29 SER N N 29 116.957 116.957 116.244 0.713 26054 1882 1 15 . 1 1 29 29 SER HA H 29 4.604 4.604 4.620 -0.016 26054 1883 1 15 . 1 1 29 29 SER H H 29 8.818 8.818 8.433 0.385 26054 1884 1 15 . 1 1 30 30 ILE N N 30 120.076 120.076 123.766 -3.690 26054 1885 1 15 . 1 1 30 30 ILE HA H 30 4.129 4.129 3.930 0.199 26054 1886 1 15 . 1 1 30 30 ILE H H 30 8.649 8.649 8.753 -0.104 26054 1887 1 15 . 1 1 31 31 MET N N 31 121.623 121.623 118.283 3.340 26054 1888 1 15 . 1 1 31 31 MET HA H 31 4.488 4.488 4.434 0.054 26054 1889 1 15 . 1 1 31 31 MET H H 31 8.074 8.074 7.598 0.476 26054 1890 1 15 . 1 1 32 32 GLY N N 32 107.202 107.202 107.608 -0.406 26054 1891 1 15 . 1 1 32 32 GLY H H 32 8.233 8.233 7.777 0.456 26054 1892 1 15 . 1 1 33 33 THR N N 33 109.666 109.666 112.289 -2.623 26054 1893 1 15 . 1 1 33 33 THR HA H 33 4.618 4.618 4.286 0.332 26054 1894 1 15 . 1 1 33 33 THR H H 33 7.514 7.514 7.772 -0.258 26054 1895 1 15 . 1 1 34 34 ASN N N 34 118.499 118.499 122.148 -3.649 26054 1896 1 15 . 1 1 34 34 ASN HA H 34 4.471 4.471 4.760 -0.289 26054 1897 1 15 . 1 1 34 34 ASN H H 34 8.750 8.750 8.433 0.317 26054 1898 1 15 . 1 1 35 35 CYS N N 35 119.713 119.713 120.252 -0.539 26054 1899 1 15 . 1 1 35 35 CYS HA H 35 5.085 5.085 4.722 0.363 26054 1900 1 15 . 1 1 35 35 CYS H H 35 8.374 8.374 7.703 0.671 26054 1901 1 15 . 1 1 36 36 GLU N N 36 122.063 122.063 124.531 -2.468 26054 1902 1 15 . 1 1 36 36 GLU HA H 36 5.088 5.088 4.917 0.171 26054 1903 1 15 . 1 1 36 36 GLU H H 36 8.712 8.712 8.588 0.124 26054 1904 1 15 . 1 1 37 37 CYS N N 37 120.788 120.788 124.413 -3.625 26054 1905 1 15 . 1 1 37 37 CYS HA H 37 5.218 5.218 4.739 0.479 26054 1906 1 15 . 1 1 37 37 CYS H H 37 8.939 8.939 9.077 -0.138 26054 1907 1 15 . 1 1 38 38 LYS N N 38 127.824 127.824 128.530 -0.706 26054 1908 1 15 . 1 1 38 38 LYS HA H 38 5.217 5.217 5.073 0.144 26054 1909 1 15 . 1 1 38 38 LYS H H 38 8.089 8.089 7.856 0.233 26054 1910 1 15 . 1 1 39 39 PRO HA H 39 4.586 4.586 4.629 -0.043 26054 1911 1 15 . 1 1 40 40 ARG N N 40 124.448 124.448 117.009 7.439 26054 1912 1 15 . 1 1 40 40 ARG HA H 40 3.902 3.902 4.422 -0.520 26054 1913 1 15 . 1 1 40 40 ARG H H 40 8.052 8.052 8.159 -0.107 26054 1914 1 15 . 1 1 41 41 LEU N N 41 118.966 118.966 119.054 -0.088 26054 1915 1 15 . 1 1 41 41 LEU HA H 41 3.826 3.826 4.027 -0.201 26054 1916 1 15 . 1 1 41 41 LEU H H 41 8.705 8.705 7.924 0.781 26054 1917 1 15 . 1 1 42 42 ILE N N 42 133.826 133.826 119.705 14.121 26054 1918 1 15 . 1 1 42 42 ILE HA H 42 4.338 4.338 4.205 0.133 26054 1919 1 15 . 1 1 42 42 ILE H H 42 8.224 8.224 7.988 0.236 26054 1920 1 15 . 1 1 43 43 MET N N 43 117.955 117.955 118.514 -0.559 26054 1921 1 15 . 1 1 43 43 MET HA H 43 4.055 4.055 4.038 0.017 26054 1922 1 15 . 1 1 43 43 MET H H 43 8.223 8.223 8.380 -0.157 26054 1923 1 15 . 1 1 44 44 GLU N N 44 116.395 116.395 119.944 -3.549 26054 1924 1 15 . 1 1 44 44 GLU HA H 44 4.323 4.323 4.007 0.316 26054 1925 1 15 . 1 1 44 44 GLU H H 44 8.601 8.601 8.286 0.315 26054 1926 1 15 . 1 1 45 45 GLY N N 45 110.336 110.336 105.674 4.662 26054 1927 1 15 . 1 1 45 45 GLY H H 45 8.189 8.189 8.909 -0.720 26054 1928 1 15 . 1 1 46 46 LEU N N 46 116.745 116.745 120.794 -4.049 26054 1929 1 15 . 1 1 46 46 LEU HA H 46 4.362 4.362 4.613 -0.251 26054 1930 1 15 . 1 1 46 46 LEU H H 46 7.731 7.731 7.440 0.291 26054 1931 1 15 . 1 1 47 47 GLY N N 47 104.013 104.013 107.557 -3.544 26054 1932 1 15 . 1 1 47 47 GLY H H 47 7.696 7.696 8.540 -0.844 26054 1933 1 15 . 1 1 48 48 LEU N N 48 118.143 118.143 121.503 -3.360 26054 1934 1 15 . 1 1 48 48 LEU HA H 48 4.248 4.248 4.578 -0.330 26054 1935 1 15 . 1 1 48 48 LEU H H 48 8.123 8.123 8.333 -0.210 26054 1936 1 16 . 1 1 2 2 LYS N N 2 123.044 123.044 124.874 -1.830 26054 1937 1 16 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.148 -0.177 26054 1938 1 16 . 1 1 2 2 LYS H H 2 8.401 8.401 8.203 0.198 26054 1939 1 16 . 1 1 3 3 LYS N N 3 118.874 118.874 122.734 -3.860 26054 1940 1 16 . 1 1 3 3 LYS HA H 3 4.332 4.332 3.932 0.400 26054 1941 1 16 . 1 1 3 3 LYS H H 3 8.269 8.269 8.298 -0.029 26054 1942 1 16 . 1 1 4 4 LYS N N 4 124.043 124.043 117.726 6.317 26054 1943 1 16 . 1 1 4 4 LYS HA H 4 4.349 4.349 4.408 -0.059 26054 1944 1 16 . 1 1 4 4 LYS H H 4 8.395 8.395 8.488 -0.093 26054 1945 1 16 . 1 1 5 5 CYS N N 5 115.251 115.251 117.441 -2.190 26054 1946 1 16 . 1 1 5 5 CYS HA H 5 5.047 5.047 4.042 1.005 26054 1947 1 16 . 1 1 5 5 CYS H H 5 7.921 7.921 7.950 -0.029 26054 1948 1 16 . 1 1 6 6 ILE N N 6 120.706 120.706 115.643 5.063 26054 1949 1 16 . 1 1 6 6 ILE HA H 6 4.763 4.763 4.390 0.373 26054 1950 1 16 . 1 1 6 6 ILE H H 6 9.211 9.211 7.769 1.442 26054 1951 1 16 . 1 1 7 7 ALA N N 7 136.854 136.854 122.875 13.979 26054 1952 1 16 . 1 1 7 7 ALA HA H 7 3.977 3.977 3.782 0.195 26054 1953 1 16 . 1 1 7 7 ALA H H 7 8.798 8.798 8.157 0.641 26054 1954 1 16 . 1 1 8 8 LYS N N 8 118.663 118.663 120.531 -1.868 26054 1955 1 16 . 1 1 8 8 LYS HA H 8 4.102 4.102 4.091 0.011 26054 1956 1 16 . 1 1 8 8 LYS H H 8 7.300 7.300 8.053 -0.753 26054 1957 1 16 . 1 1 9 9 ASP N N 9 133.072 133.072 117.820 15.252 26054 1958 1 16 . 1 1 9 9 ASP HA H 9 3.974 3.974 4.463 -0.489 26054 1959 1 16 . 1 1 9 9 ASP H H 9 9.197 9.197 8.088 1.109 26054 1960 1 16 . 1 1 10 10 TYR N N 10 120.909 120.909 117.894 3.015 26054 1961 1 16 . 1 1 10 10 TYR HA H 10 4.036 4.036 4.112 -0.076 26054 1962 1 16 . 1 1 10 10 TYR H H 10 8.557 8.557 8.159 0.398 26054 1963 1 16 . 1 1 11 11 GLY N N 11 104.832 104.832 109.418 -4.586 26054 1964 1 16 . 1 1 11 11 GLY H H 11 7.958 7.958 8.280 -0.322 26054 1965 1 16 . 1 1 12 12 ARG N N 12 122.926 122.926 124.251 -1.325 26054 1966 1 16 . 1 1 12 12 ARG HA H 12 4.555 4.555 5.124 -0.569 26054 1967 1 16 . 1 1 12 12 ARG H H 12 8.266 8.266 8.202 0.064 26054 1968 1 16 . 1 1 13 13 CYS N N 13 119.507 119.507 122.660 -3.153 26054 1969 1 16 . 1 1 13 13 CYS HA H 13 5.019 5.019 5.237 -0.218 26054 1970 1 16 . 1 1 13 13 CYS H H 13 7.692 7.692 8.290 -0.598 26054 1971 1 16 . 1 1 14 14 LYS N N 14 119.666 119.666 121.478 -1.812 26054 1972 1 16 . 1 1 14 14 LYS HA H 14 4.577 4.577 4.705 -0.128 26054 1973 1 16 . 1 1 14 14 LYS H H 14 9.093 9.093 8.441 0.652 26054 1974 1 16 . 1 1 15 15 TRP N N 15 129.454 129.454 125.304 4.150 26054 1975 1 16 . 1 1 15 15 TRP HA H 15 4.474 4.474 4.332 0.142 26054 1976 1 16 . 1 1 15 15 TRP H H 15 9.088 9.088 8.589 0.499 26054 1977 1 16 . 1 1 16 16 GLY N N 16 115.369 115.369 113.823 1.546 26054 1978 1 16 . 1 1 16 16 GLY H H 16 8.745 8.745 8.814 -0.069 26054 1979 1 16 . 1 1 17 17 GLY N N 17 108.088 108.088 112.090 -4.002 26054 1980 1 16 . 1 1 17 17 GLY H H 17 7.809 7.809 8.449 -0.640 26054 1981 1 16 . 1 1 18 18 THR N N 18 121.094 121.094 117.787 3.307 26054 1982 1 16 . 1 1 18 18 THR HA H 18 4.330 4.330 4.722 -0.392 26054 1983 1 16 . 1 1 18 18 THR H H 18 8.187 8.187 7.675 0.512 26054 1984 1 16 . 1 1 19 19 PRO HA H 19 4.512 4.512 4.053 0.459 26054 1985 1 16 . 1 1 20 20 CYS N N 20 119.243 119.243 116.002 3.241 26054 1986 1 16 . 1 1 20 20 CYS HA H 20 4.760 4.760 4.459 0.301 26054 1987 1 16 . 1 1 20 20 CYS H H 20 8.910 8.910 8.130 0.780 26054 1988 1 16 . 1 1 21 21 CYS N N 21 119.815 119.815 123.022 -3.207 26054 1989 1 16 . 1 1 21 21 CYS HA H 21 4.649 4.649 4.067 0.582 26054 1990 1 16 . 1 1 21 21 CYS H H 21 8.559 8.559 8.720 -0.161 26054 1991 1 16 . 1 1 22 22 ARG N N 22 117.375 117.375 122.064 -4.689 26054 1992 1 16 . 1 1 22 22 ARG HA H 22 4.344 4.344 4.091 0.253 26054 1993 1 16 . 1 1 22 22 ARG H H 22 7.922 7.922 8.046 -0.124 26054 1994 1 16 . 1 1 23 23 GLY N N 23 107.052 107.052 112.299 -5.247 26054 1995 1 16 . 1 1 23 23 GLY H H 23 8.566 8.566 8.271 0.295 26054 1996 1 16 . 1 1 24 24 ARG N N 24 118.904 118.904 119.762 -0.858 26054 1997 1 16 . 1 1 24 24 ARG HA H 24 3.917 3.917 4.043 -0.126 26054 1998 1 16 . 1 1 24 24 ARG H H 24 7.386 7.386 8.137 -0.751 26054 1999 1 16 . 1 1 25 25 GLY N N 25 110.468 110.468 109.741 0.727 26054 2000 1 16 . 1 1 25 25 GLY H H 25 9.232 9.232 7.794 1.438 26054 2001 1 16 . 1 1 26 26 CYS N N 26 122.353 122.353 127.245 -4.892 26054 2002 1 16 . 1 1 26 26 CYS HA H 26 4.879 4.879 5.554 -0.675 26054 2003 1 16 . 1 1 26 26 CYS H H 26 8.462 8.462 8.692 -0.230 26054 2004 1 16 . 1 1 27 27 ILE N N 27 130.221 130.221 126.157 4.064 26054 2005 1 16 . 1 1 27 27 ILE HA H 27 4.560 4.560 4.847 -0.287 26054 2006 1 16 . 1 1 27 27 ILE H H 27 8.866 8.866 8.287 0.579 26054 2007 1 16 . 1 1 28 28 CYS N N 28 127.575 127.575 122.359 5.216 26054 2008 1 16 . 1 1 28 28 CYS HA H 28 4.990 4.990 4.912 0.078 26054 2009 1 16 . 1 1 28 28 CYS H H 28 8.991 8.991 8.410 0.581 26054 2010 1 16 . 1 1 29 29 SER N N 29 116.957 116.957 115.730 1.227 26054 2011 1 16 . 1 1 29 29 SER HA H 29 4.604 4.604 4.606 -0.002 26054 2012 1 16 . 1 1 29 29 SER H H 29 8.818 8.818 8.145 0.673 26054 2013 1 16 . 1 1 30 30 ILE N N 30 120.076 120.076 124.904 -4.828 26054 2014 1 16 . 1 1 30 30 ILE HA H 30 4.129 4.129 3.876 0.253 26054 2015 1 16 . 1 1 30 30 ILE H H 30 8.649 8.649 8.768 -0.119 26054 2016 1 16 . 1 1 31 31 MET N N 31 121.623 121.623 117.410 4.213 26054 2017 1 16 . 1 1 31 31 MET HA H 31 4.488 4.488 4.463 0.025 26054 2018 1 16 . 1 1 31 31 MET H H 31 8.074 8.074 7.480 0.594 26054 2019 1 16 . 1 1 32 32 GLY N N 32 107.202 107.202 108.537 -1.335 26054 2020 1 16 . 1 1 32 32 GLY H H 32 8.233 8.233 8.186 0.047 26054 2021 1 16 . 1 1 33 33 THR N N 33 109.666 109.666 112.586 -2.920 26054 2022 1 16 . 1 1 33 33 THR HA H 33 4.618 4.618 4.454 0.164 26054 2023 1 16 . 1 1 33 33 THR H H 33 7.514 7.514 7.904 -0.390 26054 2024 1 16 . 1 1 34 34 ASN N N 34 118.499 118.499 119.560 -1.061 26054 2025 1 16 . 1 1 34 34 ASN HA H 34 4.471 4.471 4.852 -0.381 26054 2026 1 16 . 1 1 34 34 ASN H H 34 8.750 8.750 8.123 0.627 26054 2027 1 16 . 1 1 35 35 CYS N N 35 119.713 119.713 120.037 -0.324 26054 2028 1 16 . 1 1 35 35 CYS HA H 35 5.085 5.085 4.489 0.596 26054 2029 1 16 . 1 1 35 35 CYS H H 35 8.374 8.374 8.258 0.116 26054 2030 1 16 . 1 1 36 36 GLU N N 36 122.063 122.063 125.450 -3.387 26054 2031 1 16 . 1 1 36 36 GLU HA H 36 5.088 5.088 4.883 0.205 26054 2032 1 16 . 1 1 36 36 GLU H H 36 8.712 8.712 8.900 -0.188 26054 2033 1 16 . 1 1 37 37 CYS N N 37 120.788 120.788 123.829 -3.041 26054 2034 1 16 . 1 1 37 37 CYS HA H 37 5.218 5.218 4.977 0.241 26054 2035 1 16 . 1 1 37 37 CYS H H 37 8.939 8.939 8.770 0.169 26054 2036 1 16 . 1 1 38 38 LYS N N 38 127.824 127.824 127.223 0.601 26054 2037 1 16 . 1 1 38 38 LYS HA H 38 5.217 5.217 5.014 0.203 26054 2038 1 16 . 1 1 38 38 LYS H H 38 8.089 8.089 9.261 -1.172 26054 2039 1 16 . 1 1 39 39 PRO HA H 39 4.586 4.586 4.663 -0.077 26054 2040 1 16 . 1 1 40 40 ARG N N 40 124.448 124.448 118.953 5.495 26054 2041 1 16 . 1 1 40 40 ARG HA H 40 3.902 3.902 4.252 -0.350 26054 2042 1 16 . 1 1 40 40 ARG H H 40 8.052 8.052 8.403 -0.351 26054 2043 1 16 . 1 1 41 41 LEU N N 41 118.966 118.966 121.479 -2.513 26054 2044 1 16 . 1 1 41 41 LEU HA H 41 3.826 3.826 4.465 -0.639 26054 2045 1 16 . 1 1 41 41 LEU H H 41 8.705 8.705 8.146 0.559 26054 2046 1 16 . 1 1 42 42 ILE N N 42 133.826 133.826 120.610 13.216 26054 2047 1 16 . 1 1 42 42 ILE HA H 42 4.338 4.338 3.903 0.435 26054 2048 1 16 . 1 1 42 42 ILE H H 42 8.224 8.224 8.240 -0.016 26054 2049 1 16 . 1 1 43 43 MET N N 43 117.955 117.955 123.571 -5.616 26054 2050 1 16 . 1 1 43 43 MET HA H 43 4.055 4.055 4.456 -0.401 26054 2051 1 16 . 1 1 43 43 MET H H 43 8.223 8.223 8.155 0.068 26054 2052 1 16 . 1 1 44 44 GLU N N 44 116.395 116.395 120.817 -4.422 26054 2053 1 16 . 1 1 44 44 GLU HA H 44 4.323 4.323 4.194 0.129 26054 2054 1 16 . 1 1 44 44 GLU H H 44 8.601 8.601 8.661 -0.060 26054 2055 1 16 . 1 1 45 45 GLY N N 45 110.336 110.336 106.275 4.061 26054 2056 1 16 . 1 1 45 45 GLY H H 45 8.189 8.189 7.967 0.222 26054 2057 1 16 . 1 1 46 46 LEU N N 46 116.745 116.745 122.332 -5.587 26054 2058 1 16 . 1 1 46 46 LEU HA H 46 4.362 4.362 4.115 0.247 26054 2059 1 16 . 1 1 46 46 LEU H H 46 7.731 7.731 8.052 -0.321 26054 2060 1 16 . 1 1 47 47 GLY N N 47 104.013 104.013 104.595 -0.582 26054 2061 1 16 . 1 1 47 47 GLY H H 47 7.696 7.696 8.398 -0.702 26054 2062 1 16 . 1 1 48 48 LEU N N 48 118.143 118.143 117.747 0.396 26054 2063 1 16 . 1 1 48 48 LEU HA H 48 4.248 4.248 4.970 -0.722 26054 2064 1 16 . 1 1 48 48 LEU H H 48 8.123 8.123 8.109 0.014 26054 2065 1 17 . 1 1 2 2 LYS N N 2 123.044 123.044 122.460 0.584 26054 2066 1 17 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.318 -0.347 26054 2067 1 17 . 1 1 2 2 LYS H H 2 8.401 8.401 8.092 0.309 26054 2068 1 17 . 1 1 3 3 LYS N N 3 118.874 118.874 122.808 -3.934 26054 2069 1 17 . 1 1 3 3 LYS HA H 3 4.332 4.332 4.521 -0.189 26054 2070 1 17 . 1 1 3 3 LYS H H 3 8.269 8.269 8.427 -0.158 26054 2071 1 17 . 1 1 4 4 LYS N N 4 124.043 124.043 121.527 2.516 26054 2072 1 17 . 1 1 4 4 LYS HA H 4 4.349 4.349 4.472 -0.123 26054 2073 1 17 . 1 1 4 4 LYS H H 4 8.395 8.395 8.358 0.037 26054 2074 1 17 . 1 1 5 5 CYS N N 5 115.251 115.251 119.255 -4.004 26054 2075 1 17 . 1 1 5 5 CYS HA H 5 5.047 5.047 4.310 0.737 26054 2076 1 17 . 1 1 5 5 CYS H H 5 7.921 7.921 7.695 0.226 26054 2077 1 17 . 1 1 6 6 ILE N N 6 120.706 120.706 119.675 1.031 26054 2078 1 17 . 1 1 6 6 ILE HA H 6 4.763 4.763 3.709 1.054 26054 2079 1 17 . 1 1 6 6 ILE H H 6 9.211 9.211 7.991 1.220 26054 2080 1 17 . 1 1 7 7 ALA N N 7 136.854 136.854 119.582 17.272 26054 2081 1 17 . 1 1 7 7 ALA HA H 7 3.977 3.977 3.761 0.216 26054 2082 1 17 . 1 1 7 7 ALA H H 7 8.798 8.798 8.163 0.635 26054 2083 1 17 . 1 1 8 8 LYS N N 8 118.663 118.663 119.953 -1.290 26054 2084 1 17 . 1 1 8 8 LYS HA H 8 4.102 4.102 4.054 0.048 26054 2085 1 17 . 1 1 8 8 LYS H H 8 7.300 7.300 8.359 -1.059 26054 2086 1 17 . 1 1 9 9 ASP N N 9 133.072 133.072 115.371 17.701 26054 2087 1 17 . 1 1 9 9 ASP HA H 9 3.974 3.974 4.211 -0.237 26054 2088 1 17 . 1 1 9 9 ASP H H 9 9.197 9.197 7.935 1.262 26054 2089 1 17 . 1 1 10 10 TYR N N 10 120.909 120.909 119.131 1.778 26054 2090 1 17 . 1 1 10 10 TYR HA H 10 4.036 4.036 3.906 0.130 26054 2091 1 17 . 1 1 10 10 TYR H H 10 8.557 8.557 7.918 0.639 26054 2092 1 17 . 1 1 11 11 GLY N N 11 104.832 104.832 106.220 -1.388 26054 2093 1 17 . 1 1 11 11 GLY H H 11 7.958 7.958 8.299 -0.341 26054 2094 1 17 . 1 1 12 12 ARG N N 12 122.926 122.926 123.158 -0.232 26054 2095 1 17 . 1 1 12 12 ARG HA H 12 4.555 4.555 5.241 -0.686 26054 2096 1 17 . 1 1 12 12 ARG H H 12 8.266 8.266 8.237 0.029 26054 2097 1 17 . 1 1 13 13 CYS N N 13 119.507 119.507 116.886 2.621 26054 2098 1 17 . 1 1 13 13 CYS HA H 13 5.019 5.019 4.743 0.276 26054 2099 1 17 . 1 1 13 13 CYS H H 13 7.692 7.692 8.307 -0.615 26054 2100 1 17 . 1 1 14 14 LYS N N 14 119.666 119.666 121.838 -2.172 26054 2101 1 17 . 1 1 14 14 LYS HA H 14 4.577 4.577 4.219 0.358 26054 2102 1 17 . 1 1 14 14 LYS H H 14 9.093 9.093 8.920 0.173 26054 2103 1 17 . 1 1 15 15 TRP N N 15 129.454 129.454 124.963 4.491 26054 2104 1 17 . 1 1 15 15 TRP HA H 15 4.474 4.474 4.431 0.043 26054 2105 1 17 . 1 1 15 15 TRP H H 15 9.088 9.088 7.472 1.616 26054 2106 1 17 . 1 1 16 16 GLY N N 16 115.369 115.369 106.264 9.105 26054 2107 1 17 . 1 1 16 16 GLY H H 16 8.745 8.745 7.512 1.233 26054 2108 1 17 . 1 1 17 17 GLY N N 17 108.088 108.088 108.610 -0.522 26054 2109 1 17 . 1 1 17 17 GLY H H 17 7.809 7.809 7.601 0.208 26054 2110 1 17 . 1 1 18 18 THR N N 18 121.094 121.094 117.776 3.318 26054 2111 1 17 . 1 1 18 18 THR HA H 18 4.330 4.330 4.192 0.138 26054 2112 1 17 . 1 1 18 18 THR H H 18 8.187 8.187 7.943 0.244 26054 2113 1 17 . 1 1 19 19 PRO HA H 19 4.512 4.512 4.504 0.008 26054 2114 1 17 . 1 1 20 20 CYS N N 20 119.243 119.243 119.148 0.095 26054 2115 1 17 . 1 1 20 20 CYS HA H 20 4.760 4.760 4.620 0.140 26054 2116 1 17 . 1 1 20 20 CYS H H 20 8.910 8.910 8.316 0.594 26054 2117 1 17 . 1 1 21 21 CYS N N 21 119.815 119.815 122.325 -2.510 26054 2118 1 17 . 1 1 21 21 CYS HA H 21 4.649 4.649 4.513 0.136 26054 2119 1 17 . 1 1 21 21 CYS H H 21 8.559 8.559 8.586 -0.027 26054 2120 1 17 . 1 1 22 22 ARG N N 22 117.375 117.375 122.367 -4.992 26054 2121 1 17 . 1 1 22 22 ARG HA H 22 4.344 4.344 4.063 0.281 26054 2122 1 17 . 1 1 22 22 ARG H H 22 7.922 7.922 8.177 -0.255 26054 2123 1 17 . 1 1 23 23 GLY N N 23 107.052 107.052 112.388 -5.336 26054 2124 1 17 . 1 1 23 23 GLY H H 23 8.566 8.566 8.055 0.511 26054 2125 1 17 . 1 1 24 24 ARG N N 24 118.904 118.904 120.217 -1.313 26054 2126 1 17 . 1 1 24 24 ARG HA H 24 3.917 3.917 4.255 -0.338 26054 2127 1 17 . 1 1 24 24 ARG H H 24 7.386 7.386 8.104 -0.718 26054 2128 1 17 . 1 1 25 25 GLY N N 25 110.468 110.468 110.605 -0.137 26054 2129 1 17 . 1 1 25 25 GLY H H 25 9.232 9.232 7.999 1.233 26054 2130 1 17 . 1 1 26 26 CYS N N 26 122.353 122.353 123.327 -0.974 26054 2131 1 17 . 1 1 26 26 CYS HA H 26 4.879 4.879 5.142 -0.263 26054 2132 1 17 . 1 1 26 26 CYS H H 26 8.462 8.462 7.767 0.695 26054 2133 1 17 . 1 1 27 27 ILE N N 27 130.221 130.221 129.375 0.846 26054 2134 1 17 . 1 1 27 27 ILE HA H 27 4.560 4.560 4.725 -0.165 26054 2135 1 17 . 1 1 27 27 ILE H H 27 8.866 8.866 8.490 0.376 26054 2136 1 17 . 1 1 28 28 CYS N N 28 127.575 127.575 124.049 3.526 26054 2137 1 17 . 1 1 28 28 CYS HA H 28 4.990 4.990 5.191 -0.201 26054 2138 1 17 . 1 1 28 28 CYS H H 28 8.991 8.991 8.540 0.451 26054 2139 1 17 . 1 1 29 29 SER N N 29 116.957 116.957 115.789 1.168 26054 2140 1 17 . 1 1 29 29 SER HA H 29 4.604 4.604 4.694 -0.090 26054 2141 1 17 . 1 1 29 29 SER H H 29 8.818 8.818 8.324 0.494 26054 2142 1 17 . 1 1 30 30 ILE N N 30 120.076 120.076 122.729 -2.653 26054 2143 1 17 . 1 1 30 30 ILE HA H 30 4.129 4.129 3.855 0.274 26054 2144 1 17 . 1 1 30 30 ILE H H 30 8.649 8.649 8.686 -0.037 26054 2145 1 17 . 1 1 31 31 MET N N 31 121.623 121.623 117.172 4.451 26054 2146 1 17 . 1 1 31 31 MET HA H 31 4.488 4.488 4.563 -0.075 26054 2147 1 17 . 1 1 31 31 MET H H 31 8.074 8.074 8.088 -0.014 26054 2148 1 17 . 1 1 32 32 GLY N N 32 107.202 107.202 109.395 -2.193 26054 2149 1 17 . 1 1 32 32 GLY H H 32 8.233 8.233 8.040 0.193 26054 2150 1 17 . 1 1 33 33 THR N N 33 109.666 109.666 112.035 -2.369 26054 2151 1 17 . 1 1 33 33 THR HA H 33 4.618 4.618 4.356 0.263 26054 2152 1 17 . 1 1 33 33 THR H H 33 7.514 7.514 7.836 -0.322 26054 2153 1 17 . 1 1 34 34 ASN N N 34 118.499 118.499 122.528 -4.029 26054 2154 1 17 . 1 1 34 34 ASN HA H 34 4.471 4.471 4.850 -0.379 26054 2155 1 17 . 1 1 34 34 ASN H H 34 8.750 8.750 8.515 0.235 26054 2156 1 17 . 1 1 35 35 CYS N N 35 119.713 119.713 120.886 -1.173 26054 2157 1 17 . 1 1 35 35 CYS HA H 35 5.085 5.085 4.727 0.358 26054 2158 1 17 . 1 1 35 35 CYS H H 35 8.374 8.374 7.878 0.496 26054 2159 1 17 . 1 1 36 36 GLU N N 36 122.063 122.063 124.632 -2.569 26054 2160 1 17 . 1 1 36 36 GLU HA H 36 5.088 5.088 4.902 0.186 26054 2161 1 17 . 1 1 36 36 GLU H H 36 8.712 8.712 8.890 -0.178 26054 2162 1 17 . 1 1 37 37 CYS N N 37 120.788 120.788 124.611 -3.823 26054 2163 1 17 . 1 1 37 37 CYS HA H 37 5.218 5.218 4.673 0.545 26054 2164 1 17 . 1 1 37 37 CYS H H 37 8.939 8.939 9.075 -0.136 26054 2165 1 17 . 1 1 38 38 LYS N N 38 127.824 127.824 129.170 -1.346 26054 2166 1 17 . 1 1 38 38 LYS HA H 38 5.217 5.217 5.017 0.200 26054 2167 1 17 . 1 1 38 38 LYS H H 38 8.089 8.089 7.853 0.236 26054 2168 1 17 . 1 1 39 39 PRO HA H 39 4.586 4.586 4.603 -0.017 26054 2169 1 17 . 1 1 40 40 ARG N N 40 124.448 124.448 119.133 5.315 26054 2170 1 17 . 1 1 40 40 ARG HA H 40 3.902 3.902 4.372 -0.470 26054 2171 1 17 . 1 1 40 40 ARG H H 40 8.052 8.052 8.335 -0.283 26054 2172 1 17 . 1 1 41 41 LEU N N 41 118.966 118.966 121.182 -2.216 26054 2173 1 17 . 1 1 41 41 LEU HA H 41 3.826 3.826 4.471 -0.645 26054 2174 1 17 . 1 1 41 41 LEU H H 41 8.705 8.705 8.493 0.212 26054 2175 1 17 . 1 1 42 42 ILE N N 42 133.826 133.826 122.434 11.392 26054 2176 1 17 . 1 1 42 42 ILE HA H 42 4.338 4.338 4.019 0.319 26054 2177 1 17 . 1 1 42 42 ILE H H 42 8.224 8.224 7.823 0.401 26054 2178 1 17 . 1 1 43 43 MET N N 43 117.955 117.955 111.610 6.345 26054 2179 1 17 . 1 1 43 43 MET HA H 43 4.055 4.055 5.007 -0.952 26054 2180 1 17 . 1 1 43 43 MET H H 43 8.223 8.223 7.689 0.534 26054 2181 1 17 . 1 1 44 44 GLU N N 44 116.395 116.395 122.454 -6.059 26054 2182 1 17 . 1 1 44 44 GLU HA H 44 4.323 4.323 4.038 0.285 26054 2183 1 17 . 1 1 44 44 GLU H H 44 8.601 8.601 8.409 0.192 26054 2184 1 17 . 1 1 45 45 GLY N N 45 110.336 110.336 108.845 1.491 26054 2185 1 17 . 1 1 45 45 GLY H H 45 8.189 8.189 8.675 -0.486 26054 2186 1 17 . 1 1 46 46 LEU N N 46 116.745 116.745 122.104 -5.359 26054 2187 1 17 . 1 1 46 46 LEU HA H 46 4.362 4.362 4.796 -0.434 26054 2188 1 17 . 1 1 46 46 LEU H H 46 7.731 7.731 7.907 -0.176 26054 2189 1 17 . 1 1 47 47 GLY N N 47 104.013 104.013 112.499 -8.486 26054 2190 1 17 . 1 1 47 47 GLY H H 47 7.696 7.696 8.460 -0.764 26054 2191 1 17 . 1 1 48 48 LEU N N 48 118.143 118.143 121.694 -3.551 26054 2192 1 17 . 1 1 48 48 LEU HA H 48 4.248 4.248 4.722 -0.474 26054 2193 1 17 . 1 1 48 48 LEU H H 48 8.123 8.123 7.731 0.392 26054 2194 1 18 . 1 1 2 2 LYS N N 2 123.044 123.044 121.916 1.128 26054 2195 1 18 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.396 -0.425 26054 2196 1 18 . 1 1 2 2 LYS H H 2 8.401 8.401 7.761 0.640 26054 2197 1 18 . 1 1 3 3 LYS N N 3 118.874 118.874 122.798 -3.924 26054 2198 1 18 . 1 1 3 3 LYS HA H 3 4.332 4.332 4.063 0.269 26054 2199 1 18 . 1 1 3 3 LYS H H 3 8.269 8.269 8.516 -0.247 26054 2200 1 18 . 1 1 4 4 LYS N N 4 124.043 124.043 120.269 3.774 26054 2201 1 18 . 1 1 4 4 LYS HA H 4 4.349 4.349 4.383 -0.034 26054 2202 1 18 . 1 1 4 4 LYS H H 4 8.395 8.395 7.767 0.628 26054 2203 1 18 . 1 1 5 5 CYS N N 5 115.251 115.251 120.343 -5.092 26054 2204 1 18 . 1 1 5 5 CYS HA H 5 5.047 5.047 4.603 0.444 26054 2205 1 18 . 1 1 5 5 CYS H H 5 7.921 7.921 8.477 -0.556 26054 2206 1 18 . 1 1 6 6 ILE N N 6 120.706 120.706 118.481 2.225 26054 2207 1 18 . 1 1 6 6 ILE HA H 6 4.763 4.763 4.621 0.142 26054 2208 1 18 . 1 1 6 6 ILE H H 6 9.211 9.211 7.924 1.287 26054 2209 1 18 . 1 1 7 7 ALA N N 7 136.854 136.854 122.510 14.344 26054 2210 1 18 . 1 1 7 7 ALA HA H 7 3.977 3.977 4.569 -0.592 26054 2211 1 18 . 1 1 7 7 ALA H H 7 8.798 8.798 8.391 0.407 26054 2212 1 18 . 1 1 8 8 LYS N N 8 118.663 118.663 118.060 0.603 26054 2213 1 18 . 1 1 8 8 LYS HA H 8 4.102 4.102 4.258 -0.156 26054 2214 1 18 . 1 1 8 8 LYS H H 8 7.300 7.300 7.985 -0.685 26054 2215 1 18 . 1 1 9 9 ASP N N 9 133.072 133.072 117.753 15.319 26054 2216 1 18 . 1 1 9 9 ASP HA H 9 3.974 3.974 4.173 -0.199 26054 2217 1 18 . 1 1 9 9 ASP H H 9 9.197 9.197 7.885 1.312 26054 2218 1 18 . 1 1 10 10 TYR N N 10 120.909 120.909 118.473 2.436 26054 2219 1 18 . 1 1 10 10 TYR HA H 10 4.036 4.036 3.927 0.109 26054 2220 1 18 . 1 1 10 10 TYR H H 10 8.557 8.557 7.936 0.621 26054 2221 1 18 . 1 1 11 11 GLY N N 11 104.832 104.832 104.552 0.280 26054 2222 1 18 . 1 1 11 11 GLY H H 11 7.958 7.958 8.085 -0.127 26054 2223 1 18 . 1 1 12 12 ARG N N 12 122.926 122.926 122.505 0.421 26054 2224 1 18 . 1 1 12 12 ARG HA H 12 4.555 4.555 4.844 -0.289 26054 2225 1 18 . 1 1 12 12 ARG H H 12 8.266 8.266 8.308 -0.042 26054 2226 1 18 . 1 1 13 13 CYS N N 13 119.507 119.507 118.859 0.648 26054 2227 1 18 . 1 1 13 13 CYS HA H 13 5.019 5.019 5.025 -0.006 26054 2228 1 18 . 1 1 13 13 CYS H H 13 7.692 7.692 8.384 -0.692 26054 2229 1 18 . 1 1 14 14 LYS N N 14 119.666 119.666 120.372 -0.706 26054 2230 1 18 . 1 1 14 14 LYS HA H 14 4.577 4.577 4.749 -0.172 26054 2231 1 18 . 1 1 14 14 LYS H H 14 9.093 9.093 8.374 0.719 26054 2232 1 18 . 1 1 15 15 TRP N N 15 129.454 129.454 126.643 2.811 26054 2233 1 18 . 1 1 15 15 TRP HA H 15 4.474 4.474 4.403 0.071 26054 2234 1 18 . 1 1 15 15 TRP H H 15 9.088 9.088 8.657 0.431 26054 2235 1 18 . 1 1 16 16 GLY N N 16 115.369 115.369 103.953 11.416 26054 2236 1 18 . 1 1 16 16 GLY H H 16 8.745 8.745 7.768 0.977 26054 2237 1 18 . 1 1 17 17 GLY N N 17 108.088 108.088 109.171 -1.083 26054 2238 1 18 . 1 1 17 17 GLY H H 17 7.809 7.809 7.772 0.037 26054 2239 1 18 . 1 1 18 18 THR N N 18 121.094 121.094 115.114 5.980 26054 2240 1 18 . 1 1 18 18 THR HA H 18 4.330 4.330 4.181 0.148 26054 2241 1 18 . 1 1 18 18 THR H H 18 8.187 8.187 8.121 0.066 26054 2242 1 18 . 1 1 19 19 PRO HA H 19 4.512 4.512 4.434 0.078 26054 2243 1 18 . 1 1 20 20 CYS N N 20 119.243 119.243 113.299 5.944 26054 2244 1 18 . 1 1 20 20 CYS HA H 20 4.760 4.760 4.752 0.008 26054 2245 1 18 . 1 1 20 20 CYS H H 20 8.910 8.910 7.998 0.912 26054 2246 1 18 . 1 1 21 21 CYS N N 21 119.815 119.815 122.267 -2.452 26054 2247 1 18 . 1 1 21 21 CYS HA H 21 4.649 4.649 4.088 0.561 26054 2248 1 18 . 1 1 21 21 CYS H H 21 8.559 8.559 8.599 -0.040 26054 2249 1 18 . 1 1 22 22 ARG N N 22 117.375 117.375 120.522 -3.147 26054 2250 1 18 . 1 1 22 22 ARG HA H 22 4.344 4.344 4.030 0.314 26054 2251 1 18 . 1 1 22 22 ARG H H 22 7.922 7.922 8.170 -0.248 26054 2252 1 18 . 1 1 23 23 GLY N N 23 107.052 107.052 111.726 -4.674 26054 2253 1 18 . 1 1 23 23 GLY H H 23 8.566 8.566 8.287 0.279 26054 2254 1 18 . 1 1 24 24 ARG N N 24 118.904 118.904 120.453 -1.549 26054 2255 1 18 . 1 1 24 24 ARG HA H 24 3.917 3.917 4.254 -0.337 26054 2256 1 18 . 1 1 24 24 ARG H H 24 7.386 7.386 8.097 -0.711 26054 2257 1 18 . 1 1 25 25 GLY N N 25 110.468 110.468 107.328 3.140 26054 2258 1 18 . 1 1 25 25 GLY H H 25 9.232 9.232 7.712 1.520 26054 2259 1 18 . 1 1 26 26 CYS N N 26 122.353 122.353 125.887 -3.534 26054 2260 1 18 . 1 1 26 26 CYS HA H 26 4.879 4.879 4.936 -0.057 26054 2261 1 18 . 1 1 26 26 CYS H H 26 8.462 8.462 8.407 0.055 26054 2262 1 18 . 1 1 27 27 ILE N N 27 130.221 130.221 128.397 1.824 26054 2263 1 18 . 1 1 27 27 ILE HA H 27 4.560 4.560 4.569 -0.009 26054 2264 1 18 . 1 1 27 27 ILE H H 27 8.866 8.866 8.169 0.697 26054 2265 1 18 . 1 1 28 28 CYS N N 28 127.575 127.575 128.335 -0.760 26054 2266 1 18 . 1 1 28 28 CYS HA H 28 4.990 4.990 4.646 0.344 26054 2267 1 18 . 1 1 28 28 CYS H H 28 8.991 8.991 8.818 0.173 26054 2268 1 18 . 1 1 29 29 SER N N 29 116.957 116.957 116.756 0.201 26054 2269 1 18 . 1 1 29 29 SER HA H 29 4.604 4.604 4.610 -0.006 26054 2270 1 18 . 1 1 29 29 SER H H 29 8.818 8.818 8.344 0.474 26054 2271 1 18 . 1 1 30 30 ILE N N 30 120.076 120.076 122.140 -2.064 26054 2272 1 18 . 1 1 30 30 ILE HA H 30 4.129 4.129 3.837 0.292 26054 2273 1 18 . 1 1 30 30 ILE H H 30 8.649 8.649 8.579 0.070 26054 2274 1 18 . 1 1 31 31 MET N N 31 121.623 121.623 116.389 5.234 26054 2275 1 18 . 1 1 31 31 MET HA H 31 4.488 4.488 4.468 0.020 26054 2276 1 18 . 1 1 31 31 MET H H 31 8.074 8.074 8.019 0.055 26054 2277 1 18 . 1 1 32 32 GLY N N 32 107.202 107.202 107.387 -0.185 26054 2278 1 18 . 1 1 32 32 GLY H H 32 8.233 8.233 7.577 0.656 26054 2279 1 18 . 1 1 33 33 THR N N 33 109.666 109.666 111.845 -2.179 26054 2280 1 18 . 1 1 33 33 THR HA H 33 4.618 4.618 4.390 0.228 26054 2281 1 18 . 1 1 33 33 THR H H 33 7.514 7.514 7.841 -0.327 26054 2282 1 18 . 1 1 34 34 ASN N N 34 118.499 118.499 120.149 -1.650 26054 2283 1 18 . 1 1 34 34 ASN HA H 34 4.471 4.471 4.885 -0.414 26054 2284 1 18 . 1 1 34 34 ASN H H 34 8.750 8.750 8.253 0.497 26054 2285 1 18 . 1 1 35 35 CYS N N 35 119.713 119.713 120.582 -0.869 26054 2286 1 18 . 1 1 35 35 CYS HA H 35 5.085 5.085 4.395 0.690 26054 2287 1 18 . 1 1 35 35 CYS H H 35 8.374 8.374 8.145 0.229 26054 2288 1 18 . 1 1 36 36 GLU N N 36 122.063 122.063 126.879 -4.816 26054 2289 1 18 . 1 1 36 36 GLU HA H 36 5.088 5.088 4.584 0.504 26054 2290 1 18 . 1 1 36 36 GLU H H 36 8.712 8.712 8.181 0.531 26054 2291 1 18 . 1 1 37 37 CYS N N 37 120.788 120.788 127.156 -6.368 26054 2292 1 18 . 1 1 37 37 CYS HA H 37 5.218 5.218 4.441 0.777 26054 2293 1 18 . 1 1 37 37 CYS H H 37 8.939 8.939 9.011 -0.072 26054 2294 1 18 . 1 1 38 38 LYS N N 38 127.824 127.824 126.771 1.053 26054 2295 1 18 . 1 1 38 38 LYS HA H 38 5.217 5.217 5.032 0.185 26054 2296 1 18 . 1 1 38 38 LYS H H 38 8.089 8.089 8.580 -0.491 26054 2297 1 18 . 1 1 39 39 PRO HA H 39 4.586 4.586 4.409 0.177 26054 2298 1 18 . 1 1 40 40 ARG N N 40 124.448 124.448 115.431 9.017 26054 2299 1 18 . 1 1 40 40 ARG HA H 40 3.902 3.902 4.123 -0.221 26054 2300 1 18 . 1 1 40 40 ARG H H 40 8.052 8.052 8.130 -0.078 26054 2301 1 18 . 1 1 41 41 LEU N N 41 118.966 118.966 121.876 -2.910 26054 2302 1 18 . 1 1 41 41 LEU HA H 41 3.826 3.826 4.516 -0.690 26054 2303 1 18 . 1 1 41 41 LEU H H 41 8.705 8.705 8.377 0.328 26054 2304 1 18 . 1 1 42 42 ILE N N 42 133.826 133.826 122.428 11.398 26054 2305 1 18 . 1 1 42 42 ILE HA H 42 4.338 4.338 4.542 -0.204 26054 2306 1 18 . 1 1 42 42 ILE H H 42 8.224 8.224 7.874 0.350 26054 2307 1 18 . 1 1 43 43 MET N N 43 117.955 117.955 124.313 -6.358 26054 2308 1 18 . 1 1 43 43 MET HA H 43 4.055 4.055 4.756 -0.701 26054 2309 1 18 . 1 1 43 43 MET H H 43 8.223 8.223 8.377 -0.154 26054 2310 1 18 . 1 1 44 44 GLU N N 44 116.395 116.395 123.129 -6.734 26054 2311 1 18 . 1 1 44 44 GLU HA H 44 4.323 4.323 4.333 -0.010 26054 2312 1 18 . 1 1 44 44 GLU H H 44 8.601 8.601 8.669 -0.068 26054 2313 1 18 . 1 1 45 45 GLY N N 45 110.336 110.336 106.151 4.185 26054 2314 1 18 . 1 1 45 45 GLY H H 45 8.189 8.189 7.909 0.280 26054 2315 1 18 . 1 1 46 46 LEU N N 46 116.745 116.745 121.192 -4.447 26054 2316 1 18 . 1 1 46 46 LEU HA H 46 4.362 4.362 4.711 -0.349 26054 2317 1 18 . 1 1 46 46 LEU H H 46 7.731 7.731 7.737 -0.006 26054 2318 1 18 . 1 1 47 47 GLY N N 47 104.013 104.013 107.955 -3.942 26054 2319 1 18 . 1 1 47 47 GLY H H 47 7.696 7.696 7.844 -0.148 26054 2320 1 18 . 1 1 48 48 LEU N N 48 118.143 118.143 119.361 -1.218 26054 2321 1 18 . 1 1 48 48 LEU HA H 48 4.248 4.248 4.494 -0.246 26054 2322 1 18 . 1 1 48 48 LEU H H 48 8.123 8.123 7.661 0.462 26054 2323 1 19 . 1 1 2 2 LYS N N 2 123.044 123.044 123.207 -0.163 26054 2324 1 19 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.242 -0.271 26054 2325 1 19 . 1 1 2 2 LYS H H 2 8.401 8.401 8.363 0.038 26054 2326 1 19 . 1 1 3 3 LYS N N 3 118.874 118.874 120.490 -1.616 26054 2327 1 19 . 1 1 3 3 LYS HA H 3 4.332 4.332 4.553 -0.221 26054 2328 1 19 . 1 1 3 3 LYS H H 3 8.269 8.269 8.380 -0.111 26054 2329 1 19 . 1 1 4 4 LYS N N 4 124.043 124.043 119.789 4.254 26054 2330 1 19 . 1 1 4 4 LYS HA H 4 4.349 4.349 4.706 -0.357 26054 2331 1 19 . 1 1 4 4 LYS H H 4 8.395 8.395 7.658 0.737 26054 2332 1 19 . 1 1 5 5 CYS N N 5 115.251 115.251 115.363 -0.112 26054 2333 1 19 . 1 1 5 5 CYS HA H 5 5.047 5.047 4.096 0.951 26054 2334 1 19 . 1 1 5 5 CYS H H 5 7.921 7.921 8.559 -0.638 26054 2335 1 19 . 1 1 6 6 ILE N N 6 120.706 120.706 117.325 3.381 26054 2336 1 19 . 1 1 6 6 ILE HA H 6 4.763 4.763 4.328 0.435 26054 2337 1 19 . 1 1 6 6 ILE H H 6 9.211 9.211 8.338 0.873 26054 2338 1 19 . 1 1 7 7 ALA N N 7 136.854 136.854 122.013 14.841 26054 2339 1 19 . 1 1 7 7 ALA HA H 7 3.977 3.977 3.779 0.198 26054 2340 1 19 . 1 1 7 7 ALA H H 7 8.798 8.798 8.584 0.214 26054 2341 1 19 . 1 1 8 8 LYS N N 8 118.663 118.663 119.541 -0.878 26054 2342 1 19 . 1 1 8 8 LYS HA H 8 4.102 4.102 4.080 0.022 26054 2343 1 19 . 1 1 8 8 LYS H H 8 7.300 7.300 8.137 -0.837 26054 2344 1 19 . 1 1 9 9 ASP N N 9 133.072 133.072 116.165 16.907 26054 2345 1 19 . 1 1 9 9 ASP HA H 9 3.974 3.974 4.191 -0.217 26054 2346 1 19 . 1 1 9 9 ASP H H 9 9.197 9.197 8.139 1.058 26054 2347 1 19 . 1 1 10 10 TYR N N 10 120.909 120.909 117.180 3.729 26054 2348 1 19 . 1 1 10 10 TYR HA H 10 4.036 4.036 4.086 -0.050 26054 2349 1 19 . 1 1 10 10 TYR H H 10 8.557 8.557 8.336 0.221 26054 2350 1 19 . 1 1 11 11 GLY N N 11 104.832 104.832 110.408 -5.576 26054 2351 1 19 . 1 1 11 11 GLY H H 11 7.958 7.958 8.128 -0.170 26054 2352 1 19 . 1 1 12 12 ARG N N 12 122.926 122.926 120.505 2.421 26054 2353 1 19 . 1 1 12 12 ARG HA H 12 4.555 4.555 4.668 -0.113 26054 2354 1 19 . 1 1 12 12 ARG H H 12 8.266 8.266 8.500 -0.234 26054 2355 1 19 . 1 1 13 13 CYS N N 13 119.507 119.507 117.708 1.799 26054 2356 1 19 . 1 1 13 13 CYS HA H 13 5.019 5.019 4.880 0.139 26054 2357 1 19 . 1 1 13 13 CYS H H 13 7.692 7.692 8.411 -0.719 26054 2358 1 19 . 1 1 14 14 LYS N N 14 119.666 119.666 119.941 -0.275 26054 2359 1 19 . 1 1 14 14 LYS HA H 14 4.577 4.577 4.767 -0.190 26054 2360 1 19 . 1 1 14 14 LYS H H 14 9.093 9.093 8.110 0.983 26054 2361 1 19 . 1 1 15 15 TRP N N 15 129.454 129.454 127.112 2.342 26054 2362 1 19 . 1 1 15 15 TRP HA H 15 4.474 4.474 4.462 0.012 26054 2363 1 19 . 1 1 15 15 TRP H H 15 9.088 9.088 9.360 -0.272 26054 2364 1 19 . 1 1 16 16 GLY N N 16 115.369 115.369 103.577 11.792 26054 2365 1 19 . 1 1 16 16 GLY H H 16 8.745 8.745 7.999 0.746 26054 2366 1 19 . 1 1 17 17 GLY N N 17 108.088 108.088 109.877 -1.789 26054 2367 1 19 . 1 1 17 17 GLY H H 17 7.809 7.809 7.991 -0.182 26054 2368 1 19 . 1 1 18 18 THR N N 18 121.094 121.094 116.433 4.661 26054 2369 1 19 . 1 1 18 18 THR HA H 18 4.330 4.330 4.606 -0.276 26054 2370 1 19 . 1 1 18 18 THR H H 18 8.187 8.187 7.964 0.223 26054 2371 1 19 . 1 1 19 19 PRO HA H 19 4.512 4.512 4.192 0.320 26054 2372 1 19 . 1 1 20 20 CYS N N 20 119.243 119.243 117.259 1.984 26054 2373 1 19 . 1 1 20 20 CYS HA H 20 4.760 4.760 4.504 0.256 26054 2374 1 19 . 1 1 20 20 CYS H H 20 8.910 8.910 8.113 0.797 26054 2375 1 19 . 1 1 21 21 CYS N N 21 119.815 119.815 123.513 -3.698 26054 2376 1 19 . 1 1 21 21 CYS HA H 21 4.649 4.649 4.268 0.381 26054 2377 1 19 . 1 1 21 21 CYS H H 21 8.559 8.559 8.850 -0.291 26054 2378 1 19 . 1 1 22 22 ARG N N 22 117.375 117.375 121.870 -4.495 26054 2379 1 19 . 1 1 22 22 ARG HA H 22 4.344 4.344 4.296 0.048 26054 2380 1 19 . 1 1 22 22 ARG H H 22 7.922 7.922 8.549 -0.627 26054 2381 1 19 . 1 1 23 23 GLY N N 23 107.052 107.052 112.624 -5.572 26054 2382 1 19 . 1 1 23 23 GLY H H 23 8.566 8.566 8.728 -0.162 26054 2383 1 19 . 1 1 24 24 ARG N N 24 118.904 118.904 120.123 -1.219 26054 2384 1 19 . 1 1 24 24 ARG HA H 24 3.917 3.917 4.249 -0.332 26054 2385 1 19 . 1 1 24 24 ARG H H 24 7.386 7.386 8.105 -0.719 26054 2386 1 19 . 1 1 25 25 GLY N N 25 110.468 110.468 107.640 2.828 26054 2387 1 19 . 1 1 25 25 GLY H H 25 9.232 9.232 7.807 1.425 26054 2388 1 19 . 1 1 26 26 CYS N N 26 122.353 122.353 124.688 -2.335 26054 2389 1 19 . 1 1 26 26 CYS HA H 26 4.879 4.879 4.611 0.268 26054 2390 1 19 . 1 1 26 26 CYS H H 26 8.462 8.462 8.186 0.276 26054 2391 1 19 . 1 1 27 27 ILE N N 27 130.221 130.221 126.452 3.769 26054 2392 1 19 . 1 1 27 27 ILE HA H 27 4.560 4.560 4.263 0.297 26054 2393 1 19 . 1 1 27 27 ILE H H 27 8.866 8.866 8.258 0.608 26054 2394 1 19 . 1 1 28 28 CYS N N 28 127.575 127.575 128.575 -1.000 26054 2395 1 19 . 1 1 28 28 CYS HA H 28 4.990 4.990 4.777 0.213 26054 2396 1 19 . 1 1 28 28 CYS H H 28 8.991 8.991 8.214 0.777 26054 2397 1 19 . 1 1 29 29 SER N N 29 116.957 116.957 116.608 0.349 26054 2398 1 19 . 1 1 29 29 SER HA H 29 4.604 4.604 4.676 -0.072 26054 2399 1 19 . 1 1 29 29 SER H H 29 8.818 8.818 8.488 0.330 26054 2400 1 19 . 1 1 30 30 ILE N N 30 120.076 120.076 122.016 -1.940 26054 2401 1 19 . 1 1 30 30 ILE HA H 30 4.129 4.129 3.883 0.246 26054 2402 1 19 . 1 1 30 30 ILE H H 30 8.649 8.649 8.484 0.165 26054 2403 1 19 . 1 1 31 31 MET N N 31 121.623 121.623 117.789 3.834 26054 2404 1 19 . 1 1 31 31 MET HA H 31 4.488 4.488 4.720 -0.232 26054 2405 1 19 . 1 1 31 31 MET H H 31 8.074 8.074 7.996 0.078 26054 2406 1 19 . 1 1 32 32 GLY N N 32 107.202 107.202 108.919 -1.717 26054 2407 1 19 . 1 1 32 32 GLY H H 32 8.233 8.233 7.970 0.263 26054 2408 1 19 . 1 1 33 33 THR N N 33 109.666 109.666 112.004 -2.338 26054 2409 1 19 . 1 1 33 33 THR HA H 33 4.618 4.618 4.507 0.111 26054 2410 1 19 . 1 1 33 33 THR H H 33 7.514 7.514 7.946 -0.432 26054 2411 1 19 . 1 1 34 34 ASN N N 34 118.499 118.499 118.466 0.033 26054 2412 1 19 . 1 1 34 34 ASN HA H 34 4.471 4.471 4.755 -0.284 26054 2413 1 19 . 1 1 34 34 ASN H H 34 8.750 8.750 8.115 0.635 26054 2414 1 19 . 1 1 35 35 CYS N N 35 119.713 119.713 119.854 -0.141 26054 2415 1 19 . 1 1 35 35 CYS HA H 35 5.085 5.085 4.282 0.803 26054 2416 1 19 . 1 1 35 35 CYS H H 35 8.374 8.374 8.387 -0.013 26054 2417 1 19 . 1 1 36 36 GLU N N 36 122.063 122.063 123.461 -1.398 26054 2418 1 19 . 1 1 36 36 GLU HA H 36 5.088 5.088 4.532 0.556 26054 2419 1 19 . 1 1 36 36 GLU H H 36 8.712 8.712 8.418 0.294 26054 2420 1 19 . 1 1 37 37 CYS N N 37 120.788 120.788 127.306 -6.518 26054 2421 1 19 . 1 1 37 37 CYS HA H 37 5.218 5.218 4.426 0.792 26054 2422 1 19 . 1 1 37 37 CYS H H 37 8.939 8.939 9.130 -0.191 26054 2423 1 19 . 1 1 38 38 LYS N N 38 127.824 127.824 128.923 -1.099 26054 2424 1 19 . 1 1 38 38 LYS HA H 38 5.217 5.217 4.701 0.516 26054 2425 1 19 . 1 1 38 38 LYS H H 38 8.089 8.089 8.749 -0.660 26054 2426 1 19 . 1 1 39 39 PRO HA H 39 4.586 4.586 4.101 0.485 26054 2427 1 19 . 1 1 40 40 ARG N N 40 124.448 124.448 116.384 8.064 26054 2428 1 19 . 1 1 40 40 ARG HA H 40 3.902 3.902 4.645 -0.743 26054 2429 1 19 . 1 1 40 40 ARG H H 40 8.052 8.052 8.103 -0.051 26054 2430 1 19 . 1 1 41 41 LEU N N 41 118.966 118.966 119.483 -0.517 26054 2431 1 19 . 1 1 41 41 LEU HA H 41 3.826 3.826 5.017 -1.191 26054 2432 1 19 . 1 1 41 41 LEU H H 41 8.705 8.705 8.345 0.360 26054 2433 1 19 . 1 1 42 42 ILE N N 42 133.826 133.826 114.719 19.107 26054 2434 1 19 . 1 1 42 42 ILE HA H 42 4.338 4.338 4.335 0.003 26054 2435 1 19 . 1 1 42 42 ILE H H 42 8.224 8.224 8.167 0.057 26054 2436 1 19 . 1 1 43 43 MET N N 43 117.955 117.955 121.424 -3.469 26054 2437 1 19 . 1 1 43 43 MET HA H 43 4.055 4.055 4.565 -0.510 26054 2438 1 19 . 1 1 43 43 MET H H 43 8.223 8.223 7.670 0.553 26054 2439 1 19 . 1 1 44 44 GLU N N 44 116.395 116.395 123.022 -6.627 26054 2440 1 19 . 1 1 44 44 GLU HA H 44 4.323 4.323 4.012 0.311 26054 2441 1 19 . 1 1 44 44 GLU H H 44 8.601 8.601 8.914 -0.313 26054 2442 1 19 . 1 1 45 45 GLY N N 45 110.336 110.336 105.392 4.944 26054 2443 1 19 . 1 1 45 45 GLY H H 45 8.189 8.189 8.124 0.065 26054 2444 1 19 . 1 1 46 46 LEU N N 46 116.745 116.745 121.560 -4.815 26054 2445 1 19 . 1 1 46 46 LEU HA H 46 4.362 4.362 4.658 -0.296 26054 2446 1 19 . 1 1 46 46 LEU H H 46 7.731 7.731 8.437 -0.706 26054 2447 1 19 . 1 1 47 47 GLY N N 47 104.013 104.013 104.188 -0.175 26054 2448 1 19 . 1 1 47 47 GLY H H 47 7.696 7.696 8.239 -0.543 26054 2449 1 19 . 1 1 48 48 LEU N N 48 118.143 118.143 120.162 -2.019 26054 2450 1 19 . 1 1 48 48 LEU HA H 48 4.248 4.248 4.988 -0.740 26054 2451 1 19 . 1 1 48 48 LEU H H 48 8.123 8.123 8.138 -0.015 26054 2452 1 20 . 1 1 2 2 LYS N N 2 123.044 123.044 120.228 2.816 26054 2453 1 20 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.417 -0.446 26054 2454 1 20 . 1 1 2 2 LYS H H 2 8.401 8.401 8.373 0.028 26054 2455 1 20 . 1 1 3 3 LYS N N 3 118.874 118.874 118.761 0.113 26054 2456 1 20 . 1 1 3 3 LYS HA H 3 4.332 4.332 3.935 0.397 26054 2457 1 20 . 1 1 3 3 LYS H H 3 8.269 8.269 8.244 0.025 26054 2458 1 20 . 1 1 4 4 LYS N N 4 124.043 124.043 118.146 5.897 26054 2459 1 20 . 1 1 4 4 LYS HA H 4 4.349 4.349 4.562 -0.213 26054 2460 1 20 . 1 1 4 4 LYS H H 4 8.395 8.395 8.514 -0.119 26054 2461 1 20 . 1 1 5 5 CYS N N 5 115.251 115.251 116.649 -1.398 26054 2462 1 20 . 1 1 5 5 CYS HA H 5 5.047 5.047 5.165 -0.118 26054 2463 1 20 . 1 1 5 5 CYS H H 5 7.921 7.921 8.027 -0.106 26054 2464 1 20 . 1 1 6 6 ILE N N 6 120.706 120.706 118.764 1.942 26054 2465 1 20 . 1 1 6 6 ILE HA H 6 4.763 4.763 4.522 0.241 26054 2466 1 20 . 1 1 6 6 ILE H H 6 9.211 9.211 8.284 0.927 26054 2467 1 20 . 1 1 7 7 ALA N N 7 136.854 136.854 123.148 13.706 26054 2468 1 20 . 1 1 7 7 ALA HA H 7 3.977 3.977 4.672 -0.695 26054 2469 1 20 . 1 1 7 7 ALA H H 7 8.798 8.798 8.447 0.351 26054 2470 1 20 . 1 1 8 8 LYS N N 8 118.663 118.663 118.839 -0.176 26054 2471 1 20 . 1 1 8 8 LYS HA H 8 4.102 4.102 4.237 -0.135 26054 2472 1 20 . 1 1 8 8 LYS H H 8 7.300 7.300 8.258 -0.958 26054 2473 1 20 . 1 1 9 9 ASP N N 9 133.072 133.072 117.065 16.007 26054 2474 1 20 . 1 1 9 9 ASP HA H 9 3.974 3.974 4.018 -0.044 26054 2475 1 20 . 1 1 9 9 ASP H H 9 9.197 9.197 8.383 0.814 26054 2476 1 20 . 1 1 10 10 TYR N N 10 120.909 120.909 122.569 -1.660 26054 2477 1 20 . 1 1 10 10 TYR HA H 10 4.036 4.036 4.198 -0.162 26054 2478 1 20 . 1 1 10 10 TYR H H 10 8.557 8.557 8.383 0.174 26054 2479 1 20 . 1 1 11 11 GLY N N 11 104.832 104.832 107.027 -2.195 26054 2480 1 20 . 1 1 11 11 GLY H H 11 7.958 7.958 8.154 -0.196 26054 2481 1 20 . 1 1 12 12 ARG N N 12 122.926 122.926 125.096 -2.170 26054 2482 1 20 . 1 1 12 12 ARG HA H 12 4.555 4.555 4.433 0.122 26054 2483 1 20 . 1 1 12 12 ARG H H 12 8.266 8.266 8.451 -0.185 26054 2484 1 20 . 1 1 13 13 CYS N N 13 119.507 119.507 120.829 -1.322 26054 2485 1 20 . 1 1 13 13 CYS HA H 13 5.019 5.019 4.681 0.338 26054 2486 1 20 . 1 1 13 13 CYS H H 13 7.692 7.692 8.074 -0.382 26054 2487 1 20 . 1 1 14 14 LYS N N 14 119.666 119.666 119.688 -0.022 26054 2488 1 20 . 1 1 14 14 LYS HA H 14 4.577 4.577 3.971 0.606 26054 2489 1 20 . 1 1 14 14 LYS H H 14 9.093 9.093 7.929 1.164 26054 2490 1 20 . 1 1 15 15 TRP N N 15 129.454 129.454 122.961 6.493 26054 2491 1 20 . 1 1 15 15 TRP HA H 15 4.474 4.474 4.639 -0.165 26054 2492 1 20 . 1 1 15 15 TRP H H 15 9.088 9.088 8.053 1.035 26054 2493 1 20 . 1 1 16 16 GLY N N 16 115.369 115.369 107.316 8.053 26054 2494 1 20 . 1 1 16 16 GLY H H 16 8.745 8.745 8.229 0.516 26054 2495 1 20 . 1 1 17 17 GLY N N 17 108.088 108.088 109.009 -0.921 26054 2496 1 20 . 1 1 17 17 GLY H H 17 7.809 7.809 7.776 0.033 26054 2497 1 20 . 1 1 18 18 THR N N 18 121.094 121.094 114.684 6.410 26054 2498 1 20 . 1 1 18 18 THR HA H 18 4.330 4.330 4.514 -0.184 26054 2499 1 20 . 1 1 18 18 THR H H 18 8.187 8.187 7.835 0.352 26054 2500 1 20 . 1 1 19 19 PRO HA H 19 4.512 4.512 4.414 0.098 26054 2501 1 20 . 1 1 20 20 CYS N N 20 119.243 119.243 118.045 1.198 26054 2502 1 20 . 1 1 20 20 CYS HA H 20 4.760 4.760 4.681 0.079 26054 2503 1 20 . 1 1 20 20 CYS H H 20 8.910 8.910 8.384 0.526 26054 2504 1 20 . 1 1 21 21 CYS N N 21 119.815 119.815 124.844 -5.029 26054 2505 1 20 . 1 1 21 21 CYS HA H 21 4.649 4.649 4.170 0.479 26054 2506 1 20 . 1 1 21 21 CYS H H 21 8.559 8.559 8.844 -0.285 26054 2507 1 20 . 1 1 22 22 ARG N N 22 117.375 117.375 121.605 -4.230 26054 2508 1 20 . 1 1 22 22 ARG HA H 22 4.344 4.344 4.207 0.137 26054 2509 1 20 . 1 1 22 22 ARG H H 22 7.922 7.922 8.164 -0.242 26054 2510 1 20 . 1 1 23 23 GLY N N 23 107.052 107.052 106.329 0.723 26054 2511 1 20 . 1 1 23 23 GLY H H 23 8.566 8.566 7.580 0.986 26054 2512 1 20 . 1 1 24 24 ARG N N 24 118.904 118.904 119.131 -0.227 26054 2513 1 20 . 1 1 24 24 ARG HA H 24 3.917 3.917 4.544 -0.627 26054 2514 1 20 . 1 1 24 24 ARG H H 24 7.386 7.386 7.952 -0.566 26054 2515 1 20 . 1 1 25 25 GLY N N 25 110.468 110.468 111.593 -1.125 26054 2516 1 20 . 1 1 25 25 GLY H H 25 9.232 9.232 8.022 1.210 26054 2517 1 20 . 1 1 26 26 CYS N N 26 122.353 122.353 124.753 -2.400 26054 2518 1 20 . 1 1 26 26 CYS HA H 26 4.879 4.879 4.913 -0.034 26054 2519 1 20 . 1 1 26 26 CYS H H 26 8.462 8.462 8.339 0.123 26054 2520 1 20 . 1 1 27 27 ILE N N 27 130.221 130.221 126.522 3.699 26054 2521 1 20 . 1 1 27 27 ILE HA H 27 4.560 4.560 4.811 -0.251 26054 2522 1 20 . 1 1 27 27 ILE H H 27 8.866 8.866 7.981 0.885 26054 2523 1 20 . 1 1 28 28 CYS N N 28 127.575 127.575 124.327 3.248 26054 2524 1 20 . 1 1 28 28 CYS HA H 28 4.990 4.990 5.132 -0.142 26054 2525 1 20 . 1 1 28 28 CYS H H 28 8.991 8.991 8.603 0.388 26054 2526 1 20 . 1 1 29 29 SER N N 29 116.957 116.957 115.596 1.361 26054 2527 1 20 . 1 1 29 29 SER HA H 29 4.604 4.604 4.649 -0.045 26054 2528 1 20 . 1 1 29 29 SER H H 29 8.818 8.818 8.375 0.443 26054 2529 1 20 . 1 1 30 30 ILE N N 30 120.076 120.076 122.214 -2.138 26054 2530 1 20 . 1 1 30 30 ILE HA H 30 4.129 4.129 3.885 0.244 26054 2531 1 20 . 1 1 30 30 ILE H H 30 8.649 8.649 8.567 0.082 26054 2532 1 20 . 1 1 31 31 MET N N 31 121.623 121.623 118.475 3.148 26054 2533 1 20 . 1 1 31 31 MET HA H 31 4.488 4.488 4.623 -0.135 26054 2534 1 20 . 1 1 31 31 MET H H 31 8.074 8.074 8.169 -0.095 26054 2535 1 20 . 1 1 32 32 GLY N N 32 107.202 107.202 108.238 -1.036 26054 2536 1 20 . 1 1 32 32 GLY H H 32 8.233 8.233 8.030 0.203 26054 2537 1 20 . 1 1 33 33 THR N N 33 109.666 109.666 111.974 -2.308 26054 2538 1 20 . 1 1 33 33 THR HA H 33 4.618 4.618 4.361 0.257 26054 2539 1 20 . 1 1 33 33 THR H H 33 7.514 7.514 7.757 -0.243 26054 2540 1 20 . 1 1 34 34 ASN N N 34 118.499 118.499 121.620 -3.121 26054 2541 1 20 . 1 1 34 34 ASN HA H 34 4.471 4.471 4.890 -0.419 26054 2542 1 20 . 1 1 34 34 ASN H H 34 8.750 8.750 8.379 0.371 26054 2543 1 20 . 1 1 35 35 CYS N N 35 119.713 119.713 120.051 -0.338 26054 2544 1 20 . 1 1 35 35 CYS HA H 35 5.085 5.085 4.626 0.459 26054 2545 1 20 . 1 1 35 35 CYS H H 35 8.374 8.374 7.666 0.708 26054 2546 1 20 . 1 1 36 36 GLU N N 36 122.063 122.063 125.168 -3.105 26054 2547 1 20 . 1 1 36 36 GLU HA H 36 5.088 5.088 4.727 0.361 26054 2548 1 20 . 1 1 36 36 GLU H H 36 8.712 8.712 9.101 -0.389 26054 2549 1 20 . 1 1 37 37 CYS N N 37 120.788 120.788 122.357 -1.569 26054 2550 1 20 . 1 1 37 37 CYS HA H 37 5.218 5.218 4.516 0.702 26054 2551 1 20 . 1 1 37 37 CYS H H 37 8.939 8.939 9.088 -0.149 26054 2552 1 20 . 1 1 38 38 LYS N N 38 127.824 127.824 126.805 1.019 26054 2553 1 20 . 1 1 38 38 LYS HA H 38 5.217 5.217 5.191 0.026 26054 2554 1 20 . 1 1 38 38 LYS H H 38 8.089 8.089 7.975 0.114 26054 2555 1 20 . 1 1 39 39 PRO HA H 39 4.586 4.586 4.616 -0.030 26054 2556 1 20 . 1 1 40 40 ARG N N 40 124.448 124.448 120.112 4.336 26054 2557 1 20 . 1 1 40 40 ARG HA H 40 3.902 3.902 4.216 -0.314 26054 2558 1 20 . 1 1 40 40 ARG H H 40 8.052 8.052 8.346 -0.294 26054 2559 1 20 . 1 1 41 41 LEU N N 41 118.966 118.966 121.505 -2.539 26054 2560 1 20 . 1 1 41 41 LEU HA H 41 3.826 3.826 4.161 -0.335 26054 2561 1 20 . 1 1 41 41 LEU H H 41 8.705 8.705 8.630 0.075 26054 2562 1 20 . 1 1 42 42 ILE N N 42 133.826 133.826 122.499 11.327 26054 2563 1 20 . 1 1 42 42 ILE HA H 42 4.338 4.338 3.914 0.424 26054 2564 1 20 . 1 1 42 42 ILE H H 42 8.224 8.224 8.310 -0.086 26054 2565 1 20 . 1 1 43 43 MET N N 43 117.955 117.955 118.412 -0.457 26054 2566 1 20 . 1 1 43 43 MET HA H 43 4.055 4.055 4.268 -0.213 26054 2567 1 20 . 1 1 43 43 MET H H 43 8.223 8.223 7.628 0.595 26054 2568 1 20 . 1 1 44 44 GLU N N 44 116.395 116.395 121.436 -5.041 26054 2569 1 20 . 1 1 44 44 GLU HA H 44 4.323 4.323 4.384 -0.061 26054 2570 1 20 . 1 1 44 44 GLU H H 44 8.601 8.601 8.733 -0.132 26054 2571 1 20 . 1 1 45 45 GLY N N 45 110.336 110.336 106.410 3.926 26054 2572 1 20 . 1 1 45 45 GLY H H 45 8.189 8.189 8.129 0.060 26054 2573 1 20 . 1 1 46 46 LEU N N 46 116.745 116.745 118.630 -1.885 26054 2574 1 20 . 1 1 46 46 LEU HA H 46 4.362 4.362 3.967 0.395 26054 2575 1 20 . 1 1 46 46 LEU H H 46 7.731 7.731 7.733 -0.002 26054 2576 1 20 . 1 1 47 47 GLY N N 47 104.013 104.013 103.976 0.037 26054 2577 1 20 . 1 1 47 47 GLY H H 47 7.696 7.696 7.971 -0.275 26054 2578 1 20 . 1 1 48 48 LEU N N 48 118.143 118.143 119.707 -1.564 26054 2579 1 20 . 1 1 48 48 LEU HA H 48 4.248 4.248 4.737 -0.489 26054 2580 1 20 . 1 1 48 48 LEU H H 48 8.123 8.123 8.078 0.045 26054 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 45 5.839 -1.140 5.791 26054 2 1 1 "Average Difference" HA 55 0.331 0.022 0.334 26054 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 26054 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 26054 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 26054 6 1 1 "Average Difference" HN 45 0.540 -0.154 0.524 26054 7 1 2 "Average Difference" N 45 5.716 -0.885 5.711 26054 8 1 2 "Average Difference" HA 55 0.383 0.029 0.385 26054 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 26054 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 26054 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 26054 12 1 2 "Average Difference" HN 45 0.552 -0.089 0.551 26054 13 1 3 "Average Difference" N 45 5.520 -0.923 5.504 26054 14 1 3 "Average Difference" HA 55 0.350 0.030 0.352 26054 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 26054 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 26054 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 26054 18 1 3 "Average Difference" HN 45 0.552 -0.198 0.521 26054 19 1 4 "Average Difference" N 45 5.254 -0.946 5.226 26054 20 1 4 "Average Difference" HA 55 0.333 -0.026 0.335 26054 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 26054 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 26054 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 26054 24 1 4 "Average Difference" HN 45 0.565 -0.109 0.561 26054 25 1 5 "Average Difference" N 45 4.944 -0.713 4.947 26054 26 1 5 "Average Difference" HA 55 0.374 -0.006 0.377 26054 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 26054 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 26054 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 26054 30 1 5 "Average Difference" HN 45 0.585 -0.156 0.570 26054 31 1 6 "Average Difference" N 45 5.469 -0.654 5.491 26054 32 1 6 "Average Difference" HA 55 0.333 0.007 0.336 26054 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 26054 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 26054 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 26054 36 1 6 "Average Difference" HN 45 0.621 -0.237 0.580 26054 37 1 7 "Average Difference" N 45 5.066 -0.860 5.049 26054 38 1 7 "Average Difference" HA 55 0.353 0.015 0.356 26054 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 26054 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 26054 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 26054 42 1 7 "Average Difference" HN 45 0.541 -0.167 0.521 26054 43 1 8 "Average Difference" N 45 4.943 -0.206 4.994 26054 44 1 8 "Average Difference" HA 55 0.351 -0.020 0.354 26054 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 26054 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 26054 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 26054 48 1 8 "Average Difference" HN 45 0.548 -0.151 0.532 26054 49 1 9 "Average Difference" N 45 5.317 -0.821 5.312 26054 50 1 9 "Average Difference" HA 55 0.351 0.005 0.354 26054 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 26054 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 26054 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 26054 54 1 9 "Average Difference" HN 45 0.537 -0.155 0.520 26054 55 1 10 "Average Difference" N 45 5.222 -0.806 5.218 26054 56 1 10 "Average Difference" HA 55 0.376 0.042 0.377 26054 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 26054 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 26054 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 26054 60 1 10 "Average Difference" HN 45 0.539 -0.124 0.530 26054 61 1 11 "Average Difference" N 45 5.026 -0.921 4.997 26054 62 1 11 "Average Difference" HA 55 0.367 0.036 0.369 26054 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 26054 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 26054 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 26054 66 1 11 "Average Difference" HN 45 0.549 -0.178 0.525 26054 67 1 12 "Average Difference" N 45 5.647 -1.074 5.607 26054 68 1 12 "Average Difference" HA 55 0.380 -0.006 0.383 26054 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 26054 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 26054 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 26054 72 1 12 "Average Difference" HN 45 0.550 -0.213 0.513 26054 73 1 13 "Average Difference" N 45 5.662 -0.685 5.684 26054 74 1 13 "Average Difference" HA 55 0.346 -0.032 0.348 26054 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 26054 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 26054 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 26054 78 1 13 "Average Difference" HN 45 0.538 -0.137 0.526 26054 79 1 14 "Average Difference" N 45 5.195 -0.970 5.161 26054 80 1 14 "Average Difference" HA 55 0.374 -0.009 0.378 26054 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 26054 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 26054 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 26054 84 1 14 "Average Difference" HN 45 0.519 -0.173 0.495 26054 85 1 15 "Average Difference" N 45 4.995 -0.866 4.974 26054 86 1 15 "Average Difference" HA 55 0.343 0.009 0.346 26054 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 26054 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 26054 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 26054 90 1 15 "Average Difference" HN 45 0.605 -0.172 0.586 26054 91 1 16 "Average Difference" N 45 5.026 -0.354 5.070 26054 92 1 16 "Average Difference" HA 55 0.374 -0.019 0.377 26054 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 26054 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 26054 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 26054 96 1 16 "Average Difference" HN 45 0.564 -0.115 0.559 26054 97 1 17 "Average Difference" N 45 5.362 -0.454 5.403 26054 98 1 17 "Average Difference" HA 55 0.375 0.008 0.379 26054 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 26054 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 26054 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 26054 102 1 17 "Average Difference" HN 45 0.594 -0.211 0.562 26054 103 1 18 "Average Difference" N 45 5.273 -0.727 5.282 26054 104 1 18 "Average Difference" HA 55 0.344 0.013 0.347 26054 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 26054 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 26054 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 26054 108 1 18 "Average Difference" HN 45 0.562 -0.222 0.522 26054 109 1 19 "Average Difference" N 45 5.720 -1.101 5.677 26054 110 1 19 "Average Difference" HA 55 0.419 0.002 0.423 26054 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 26054 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 26054 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 26054 114 1 19 "Average Difference" HN 45 0.545 -0.086 0.544 26054 115 1 20 "Average Difference" N 45 4.663 -1.055 4.593 26054 116 1 20 "Average Difference" HA 55 0.344 0.036 0.345 26054 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 26054 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 26054 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 26054 120 1 20 "Average Difference" HN 45 0.505 -0.167 0.482 26054 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 26054 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LYS N N 2 123.044 123.044 120.941 2.103 26054 2 1 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.250 -0.279 26054 3 1 . 1 1 2 2 LYS H H 2 8.401 8.401 8.201 0.200 26054 4 1 . 1 1 3 3 LYS N N 3 118.874 118.874 120.209 -1.335 26054 5 1 . 1 1 3 3 LYS HA H 3 4.332 4.332 4.215 0.117 26054 6 1 . 1 1 3 3 LYS H H 3 8.269 8.269 8.347 -0.078 26054 7 1 . 1 1 4 4 LYS N N 4 124.043 124.043 119.423 4.620 26054 8 1 . 1 1 4 4 LYS HA H 4 4.349 4.349 4.418 -0.069 26054 9 1 . 1 1 4 4 LYS H H 4 8.395 8.395 8.197 0.198 26054 10 1 . 1 1 5 5 CYS N N 5 115.251 115.251 117.311 -2.060 26054 11 1 . 1 1 5 5 CYS HA H 5 5.047 5.047 4.320 0.727 26054 12 1 . 1 1 5 5 CYS H H 5 7.921 7.921 8.159 -0.238 26054 13 1 . 1 1 6 6 ILE N N 6 120.706 120.706 117.622 3.084 26054 14 1 . 1 1 6 6 ILE HA H 6 4.763 4.763 4.345 0.418 26054 15 1 . 1 1 6 6 ILE H H 6 9.211 9.211 7.975 1.236 26054 16 1 . 1 1 7 7 ALA N N 7 136.854 136.854 122.011 14.843 26054 17 1 . 1 1 7 7 ALA HA H 7 3.977 3.977 4.188 -0.211 26054 18 1 . 1 1 7 7 ALA H H 7 8.798 8.798 8.272 0.526 26054 19 1 . 1 1 8 8 LYS N N 8 118.663 118.663 119.374 -0.711 26054 20 1 . 1 1 8 8 LYS HA H 8 4.102 4.102 4.179 -0.077 26054 21 1 . 1 1 8 8 LYS H H 8 7.300 7.300 8.125 -0.825 26054 22 1 . 1 1 9 9 ASP N N 9 133.072 133.072 117.080 15.992 26054 23 1 . 1 1 9 9 ASP HA H 9 3.974 3.974 4.302 -0.328 26054 24 1 . 1 1 9 9 ASP H H 9 9.197 9.197 8.134 1.063 26054 25 1 . 1 1 10 10 TYR N N 10 120.909 120.909 119.655 1.254 26054 26 1 . 1 1 10 10 TYR HA H 10 4.036 4.036 4.173 -0.137 26054 27 1 . 1 1 10 10 TYR H H 10 8.557 8.557 8.037 0.520 26054 28 1 . 1 1 11 11 GLY N N 11 104.832 104.832 107.771 -2.939 26054 29 1 . 1 1 11 11 GLY H H 11 7.958 7.958 8.176 -0.218 26054 30 1 . 1 1 12 12 ARG N N 12 122.926 122.926 123.102 -0.176 26054 31 1 . 1 1 12 12 ARG HA H 12 4.555 4.555 4.707 -0.152 26054 32 1 . 1 1 12 12 ARG H H 12 8.266 8.266 8.360 -0.094 26054 33 1 . 1 1 13 13 CYS N N 13 119.507 119.507 120.951 -1.444 26054 34 1 . 1 1 13 13 CYS HA H 13 5.019 5.019 4.934 0.085 26054 35 1 . 1 1 13 13 CYS H H 13 7.692 7.692 8.262 -0.569 26054 36 1 . 1 1 14 14 LYS N N 14 119.666 119.666 122.050 -2.384 26054 37 1 . 1 1 14 14 LYS HA H 14 4.577 4.577 4.420 0.157 26054 38 1 . 1 1 14 14 LYS H H 14 9.093 9.093 8.334 0.759 26054 39 1 . 1 1 15 15 TRP N N 15 129.454 129.454 125.776 3.678 26054 40 1 . 1 1 15 15 TRP HA H 15 4.474 4.474 4.418 0.056 26054 41 1 . 1 1 15 15 TRP H H 15 9.088 9.088 8.394 0.694 26054 42 1 . 1 1 16 16 GLY N N 16 115.369 115.369 106.395 8.974 26054 43 1 . 1 1 16 16 GLY H H 16 8.745 8.745 8.186 0.559 26054 44 1 . 1 1 17 17 GLY N N 17 108.088 108.088 109.535 -1.447 26054 45 1 . 1 1 17 17 GLY H H 17 7.809 7.809 7.955 -0.146 26054 46 1 . 1 1 18 18 THR N N 18 121.094 121.094 115.657 5.437 26054 47 1 . 1 1 18 18 THR HA H 18 4.330 4.330 4.486 -0.157 26054 48 1 . 1 1 18 18 THR H H 18 8.187 8.187 7.916 0.271 26054 49 1 . 1 1 19 19 PRO HA H 19 4.512 4.512 4.307 0.205 26054 50 1 . 1 1 20 20 CYS N N 20 119.243 119.243 116.914 2.329 26054 51 1 . 1 1 20 20 CYS HA H 20 4.760 4.760 4.433 0.327 26054 52 1 . 1 1 20 20 CYS H H 20 8.910 8.910 8.170 0.740 26054 53 1 . 1 1 21 21 CYS N N 21 119.815 119.815 122.895 -3.080 26054 54 1 . 1 1 21 21 CYS HA H 21 4.649 4.649 4.150 0.499 26054 55 1 . 1 1 21 21 CYS H H 21 8.559 8.559 8.610 -0.051 26054 56 1 . 1 1 22 22 ARG N N 22 117.375 117.375 121.101 -3.726 26054 57 1 . 1 1 22 22 ARG HA H 22 4.344 4.344 4.179 0.165 26054 58 1 . 1 1 22 22 ARG H H 22 7.922 7.922 8.126 -0.204 26054 59 1 . 1 1 23 23 GLY N N 23 107.052 107.052 111.120 -4.068 26054 60 1 . 1 1 23 23 GLY H H 23 8.566 8.566 8.200 0.366 26054 61 1 . 1 1 24 24 ARG N N 24 118.904 118.904 119.914 -1.010 26054 62 1 . 1 1 24 24 ARG HA H 24 3.917 3.917 4.287 -0.370 26054 63 1 . 1 1 24 24 ARG H H 24 7.386 7.386 8.190 -0.804 26054 64 1 . 1 1 25 25 GLY N N 25 110.468 110.468 109.840 0.628 26054 65 1 . 1 1 25 25 GLY H H 25 9.232 9.232 7.978 1.254 26054 66 1 . 1 1 26 26 CYS N N 26 122.353 122.353 123.659 -1.306 26054 67 1 . 1 1 26 26 CYS HA H 26 4.879 4.879 5.007 -0.128 26054 68 1 . 1 1 26 26 CYS H H 26 8.462 8.462 8.245 0.217 26054 69 1 . 1 1 27 27 ILE N N 27 130.221 130.221 126.988 3.233 26054 70 1 . 1 1 27 27 ILE HA H 27 4.560 4.560 4.669 -0.109 26054 71 1 . 1 1 27 27 ILE H H 27 8.866 8.866 8.275 0.591 26054 72 1 . 1 1 28 28 CYS N N 28 127.575 127.575 124.993 2.582 26054 73 1 . 1 1 28 28 CYS HA H 28 4.990 4.990 5.057 -0.067 26054 74 1 . 1 1 28 28 CYS H H 28 8.991 8.991 8.532 0.459 26054 75 1 . 1 1 29 29 SER N N 29 116.957 116.957 115.810 1.147 26054 76 1 . 1 1 29 29 SER HA H 29 4.604 4.604 4.611 -0.007 26054 77 1 . 1 1 29 29 SER H H 29 8.818 8.818 8.383 0.435 26054 78 1 . 1 1 30 30 ILE N N 30 120.076 120.076 122.588 -2.512 26054 79 1 . 1 1 30 30 ILE HA H 30 4.129 4.129 3.879 0.250 26054 80 1 . 1 1 30 30 ILE H H 30 8.649 8.649 8.586 0.063 26054 81 1 . 1 1 31 31 MET N N 31 121.623 121.623 117.540 4.083 26054 82 1 . 1 1 31 31 MET HA H 31 4.488 4.488 4.565 -0.077 26054 83 1 . 1 1 31 31 MET H H 31 8.074 8.074 8.044 0.030 26054 84 1 . 1 1 32 32 GLY N N 32 107.202 107.202 108.197 -0.995 26054 85 1 . 1 1 32 32 GLY H H 32 8.233 8.233 8.017 0.216 26054 86 1 . 1 1 33 33 THR N N 33 109.666 109.666 112.344 -2.678 26054 87 1 . 1 1 33 33 THR HA H 33 4.618 4.618 4.377 0.241 26054 88 1 . 1 1 33 33 THR H H 33 7.514 7.514 7.868 -0.354 26054 89 1 . 1 1 34 34 ASN N N 34 118.499 118.499 121.742 -3.243 26054 90 1 . 1 1 34 34 ASN HA H 34 4.471 4.471 4.813 -0.342 26054 91 1 . 1 1 34 34 ASN H H 34 8.750 8.750 8.407 0.342 26054 92 1 . 1 1 35 35 CYS N N 35 119.713 119.713 120.469 -0.756 26054 93 1 . 1 1 35 35 CYS HA H 35 5.085 5.085 4.706 0.379 26054 94 1 . 1 1 35 35 CYS H H 35 8.374 8.374 7.964 0.410 26054 95 1 . 1 1 36 36 GLU N N 36 122.063 122.063 124.849 -2.787 26054 96 1 . 1 1 36 36 GLU HA H 36 5.088 5.088 4.831 0.257 26054 97 1 . 1 1 36 36 GLU H H 36 8.712 8.712 8.737 -0.025 26054 98 1 . 1 1 37 37 CYS N N 37 120.788 120.788 123.588 -2.800 26054 99 1 . 1 1 37 37 CYS HA H 37 5.218 5.218 4.631 0.587 26054 100 1 . 1 1 37 37 CYS H H 37 8.939 8.939 9.020 -0.081 26054 101 1 . 1 1 38 38 LYS N N 38 127.824 127.824 127.211 0.613 26054 102 1 . 1 1 38 38 LYS HA H 38 5.217 5.217 4.915 0.302 26054 103 1 . 1 1 38 38 LYS H H 38 8.089 8.089 8.135 -0.046 26054 104 1 . 1 1 39 39 PRO HA H 39 4.586 4.586 4.500 0.086 26054 105 1 . 1 1 40 40 ARG N N 40 124.448 124.448 117.971 6.476 26054 106 1 . 1 1 40 40 ARG HA H 40 3.902 3.902 4.371 -0.469 26054 107 1 . 1 1 40 40 ARG H H 40 8.052 8.052 8.259 -0.207 26054 108 1 . 1 1 41 41 LEU N N 41 118.966 118.966 121.267 -2.301 26054 109 1 . 1 1 41 41 LEU HA H 41 3.826 3.826 4.455 -0.629 26054 110 1 . 1 1 41 41 LEU H H 41 8.705 8.705 8.323 0.382 26054 111 1 . 1 1 42 42 ILE N N 42 133.826 133.826 119.413 14.413 26054 112 1 . 1 1 42 42 ILE HA H 42 4.338 4.338 4.120 0.218 26054 113 1 . 1 1 42 42 ILE H H 42 8.224 8.224 7.983 0.241 26054 114 1 . 1 1 43 43 MET N N 43 117.955 117.955 121.113 -3.158 26054 115 1 . 1 1 43 43 MET HA H 43 4.055 4.055 4.496 -0.441 26054 116 1 . 1 1 43 43 MET H H 43 8.223 8.223 8.017 0.206 26054 117 1 . 1 1 44 44 GLU N N 44 116.395 116.395 122.504 -6.109 26054 118 1 . 1 1 44 44 GLU HA H 44 4.323 4.323 4.208 0.115 26054 119 1 . 1 1 44 44 GLU H H 44 8.601 8.601 8.748 -0.147 26054 120 1 . 1 1 45 45 GLY N N 45 110.336 110.336 107.228 3.108 26054 121 1 . 1 1 45 45 GLY H H 45 8.189 8.189 8.148 0.041 26054 122 1 . 1 1 46 46 LEU N N 46 116.745 116.745 120.765 -4.020 26054 123 1 . 1 1 46 46 LEU HA H 46 4.362 4.362 4.507 -0.145 26054 124 1 . 1 1 46 46 LEU H H 46 7.731 7.731 7.919 -0.188 26054 125 1 . 1 1 47 47 GLY N N 47 104.013 104.013 107.353 -3.340 26054 126 1 . 1 1 47 47 GLY H H 47 7.696 7.696 8.317 -0.621 26054 127 1 . 1 1 48 48 LEU N N 48 118.143 118.143 119.992 -1.849 26054 128 1 . 1 1 48 48 LEU HA H 48 4.248 4.248 4.733 -0.485 26054 129 1 . 1 1 48 48 LEU H H 48 8.123 8.123 8.013 0.110 26054 stop_ save_